5VP

4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol

Created:	2021-07-23
Last modified:	2022-06-22

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1 entries where 5VP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	22

2D diagram of 5VP

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Chemical Component Summary
Name	4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol
Systematic Name (OpenEye OEToolkits)	4-[[(2-chloranyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol
Formula	C₁₉ H₁₄ Cl N₃ O S
Molecular Weight	367.852
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1)CNc1nc(Cl)nc2scc(c12)c1ccccc1
SMILES	CACTVS	3.385	Oc1ccc(CNc2nc(Cl)nc3scc(c4ccccc4)c23)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2csc3c2c(nc(n3)Cl)NCc4ccc(cc4)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(CNc2nc(Cl)nc3scc(c4ccccc4)c23)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2csc3c2c(nc(n3)Cl)NCc4ccc(cc4)O
InChI	InChI	1.03	InChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-6-8-14(24)9-7-12)16-15(11-25-18(16)23-19)13-4-2-1-3-5-13/h1-9,11,24H,10H2,(H,21,22,23)
InChIKey	InChI	1.03	NNBAZKOESMUGEL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154872580

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