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

74H

Summary

Name:	1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide
Formula:	C20 H19 N9 O
Formal charge:	0
Formula weight:	401.425 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.5	1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H19N9O/c1-28-19(20(8-9-20)12-5-3-2-4-6-12)25-17(27-28)14-11-23-15(21)18(24-14)29-10-7-13(26-29)16(22)30/h2-7,10-11H,8-9H2,1H3,(H2,21,23)(H2,22,30)
InChIKey	InChI	1.03	PPNTYGOEVAXAOA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)n5ccc(n5)C(N)=O
SMILES	CACTVS	3.385	Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)n5ccc(n5)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	Cn1c(nc(n1)c2cnc(c(n2)n3ccc(n3)C(=O)N)N)C4(CC4)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.5	Cn1c(nc(n1)c2cnc(c(n2)n3ccc(n3)C(=O)N)N)C4(CC4)c5ccccc5

222926

PDB entries from 2024-07-24

PDB statistics

PDBj update info

Contact PDBj

numon