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

JDP

Summary

Name:	1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
Formula:	C24 H23 N5 O2
Formal charge:	0
Formula weight:	413.472 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
OpenEye OEToolkits	2.0.6	2-methyl-1-[4-[(phenylmethyl)amino]-7,8-dihydro-5~{H}-pyrano[4,3-d]pyrimidin-2-yl]indole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c5cccc(CNc3nc(n2c1cccc(C(=O)N)c1cc2C)nc4c3COCC4)c5
InChI	InChI	1.03	InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
InChIKey	InChI	1.03	RDALZZCKQFLGJP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc2c(cccc2C(N)=O)n1c3nc4CCOCc4c(NCc5ccccc5)n3
SMILES	CACTVS	3.385	Cc1cc2c(cccc2C(N)=O)n1c3nc4CCOCc4c(NCc5ccccc5)n3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N

222036

PDB entries from 2024-07-03

PDB statistics

PDBj update info

Contact PDBj

numon