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

BKV

Summary

Name:	7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C18 H12 Br N3 O
Formal charge:	0
Formula weight:	366.211 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
OpenEye OEToolkits	1.7.6	7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1ccc(cc1)n3cc(c2C(=O)NC=Nc23)c4ccccc4
InChI	InChI	1.03	InChI=1S/C18H12BrN3O/c19-13-6-8-14(9-7-13)22-10-15(12-4-2-1-3-5-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23)
InChIKey	InChI	1.03	PNDQJUVRRFIFTM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Brc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc24
SMILES	CACTVS	3.385	Brc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc24
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br

223532

數據於2024-08-07公開中

PDB statistics

PDBj update info

Contact PDBj

numon