English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

6FV

Summary

Name:	10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
Formula:	C18 H10 N4 O3
Formal charge:	0
Formula weight:	330.297 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
OpenEye OEToolkits	2.0.4	10-(4-hydroxyphenyl)-2,4-bis(oxidanylidene)pyrimido[4,5-b]quinoline-8-carbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N3C(C2=Cc4c(N(c1ccc(cc1)O)C2=NC3=O)cc(cc4)C#N)=O
InChI	InChI	1.03	InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
InChIKey	InChI	1.03	JAOMIQIQBBRLQX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(cc1)N2c3cc(ccc3C=C4C(=O)NC(=O)N=C24)C#N
SMILES	CACTVS	3.385	Oc1ccc(cc1)N2c3cc(ccc3C=C4C(=O)NC(=O)N=C24)C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O
SMILES	OpenEye OEToolkits	2.0.4	c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon