2-[(3,4-dimethoxyphenyl)amino]-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dimethoxyphenyl)amino]-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one Openeye Name: 2-(3,4-dimethoxyanilino)-9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3H-purin-6-one CAS Name: 2-(3,4-dimethoxyanilino)-9-(2-hydroxy-6-phenylhexan-3-yl)-3H-purin-6-one IUPAC Name: 2-(3,4-dimethoxyanilino)-9-(2-hydroxy-6-phenylhexan-3-yl)-3H-purin-6-one Traditional Name: 2-(3,4-dimethoxyanilino)-9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3H-purin-6-one Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)NC4=CC(=C(C=C4)OC)OC)O

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)NC4=CC(=C(C=C4)OC)OC)O

InChI

InChI=1S/C25H29N5O4/c1-16(31)19(11-7-10-17-8-5-4-6-9-17)30-15-26-22-23(30)28-25(29-24(22)32)27-18-12-13-20(33-2)21(14-18)34-3/h4-6,8-9,12-16,19,31H,7,10-11H2,1-3H3,(H2,27,28,29,32)