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Summary Geometry Related PDB entries

A1ITV

Summary

Name:	(1~{R})-~{N}-[4-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]phenyl]-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide
Synonyms:	(1R)-N-(3-chlorophenyl)-N-[4-(2,4-dioxo-1H-pyrimidin-5-yl)phenyl]-3-oxo-indane-1-carboxamide
Formula:	C26 H18 Cl N3 O4
Formal charge:	0
Formula weight:	471.892 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(1~{R})-~{N}-[4-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]phenyl]-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H18ClN3O4/c27-16-4-3-5-18(12-16)30(25(33)21-13-23(31)20-7-2-1-6-19(20)21)17-10-8-15(9-11-17)22-14-28-26(34)29-24(22)32/h1-12,14,21H,13H2,(H2,28,29,32,34)/t21-/m1/s1
InChIKey	InChI	1.06	WUIFAQSQLPAHRA-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(c1)N(C(=O)[C@@H]2CC(=O)c3ccccc23)c4ccc(cc4)C5=CNC(=O)NC5=O
SMILES	CACTVS	3.385	Clc1cccc(c1)N(C(=O)[CH]2CC(=O)c3ccccc23)c4ccc(cc4)C5=CNC(=O)NC5=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)[C@@H](CC2=O)C(=O)N(c3ccc(cc3)C4=CNC(=O)NC4=O)c5cccc(c5)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(CC2=O)C(=O)N(c3ccc(cc3)C4=CNC(=O)NC4=O)c5cccc(c5)Cl

250835

PDB entries from 2026-03-18

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