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

5EV

Summary

Name:	N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine
Formula:	C26 H23 N5 O
Formal charge:	0
Formula weight:	421.494 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine
OpenEye OEToolkits	1.9.2	N4-methyl-N2-[2-methyl-1-(2-phenoxyphenyl)indol-6-yl]pyrimidine-2,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c25c(cc(Nc1nc(ccn1)NC)cc2)n(c3c(cccc3)Oc4ccccc4)c(c5)C
InChI	InChI	1.03	InChI=1S/C26H23N5O/c1-18-16-19-12-13-20(29-26-28-15-14-25(27-2)30-26)17-23(19)31(18)22-10-6-7-11-24(22)32-21-8-4-3-5-9-21/h3-17H,1-2H3,(H2,27,28,29,30)
InChIKey	InChI	1.03	VTOOSSZNUMLKNN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNc1ccnc(Nc2ccc3cc(C)n(c4ccccc4Oc5ccccc5)c3c2)n1
SMILES	CACTVS	3.385	CNc1ccnc(Nc2ccc3cc(C)n(c4ccccc4Oc5ccccc5)c3c2)n1
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC

225946

PDB entries from 2024-10-09

PDB statistics

PDBj update info

Contact PDBj

numon