PX1

(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE

Created:	2003-09-10
Last modified:	2024-09-27

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2 entries where PX1 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	6

2D diagram of PX1

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Chemical Component Summary
Name	(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE
Systematic Name (OpenEye OEToolkits)	3-azanyl-8-azanylidene-9-[bis(oxidanyl)methylidene]-4,6-dimethyl-7-oxidanylidene-phenoxazine-1-carboxylic acid
Formula	C₁₆ H₁₃ N₃ O₆
Molecular Weight	343.291
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2C)c(c(cc3C=O)N)C)=C\O
SMILES	CACTVS	3.385	Cc1c(N)cc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=N)C3=C(O)O)Oc12
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc(c2c1OC3=C(C(=O)C(=N)C(=C(O)O)C3=N2)C)C(=O)O)N
Canonical SMILES	CACTVS	3.385	Cc1c(N)cc(C(O)=O)c2N=C3C(=C(C)C(=O)C(=N)C3=C(O)O)Oc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C\1/C(=C(O)O)C2=Nc3c(cc(c(c3OC2=C(C1=O)C)C)N)C(=O)O
InChI	InChI	1.06	InChI=1S/C16H13N3O6/c1-4-7(17)3-6(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3,18,23-24H,17H2,1-2H3,(H,21,22)/b18-9-
InChIKey	InChI	1.06	LOBCIKZSYRQAOC-NVMNQCDNSA-N

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