9-(5-phenylpentan-2-yl)-2-[(4-thiophen-3-ylphenyl)methyl]-3H-purin-6-one

Systemtic Name: 9-(5-phenylpentan-2-yl)-2-[(4-thiophen-3-ylphenyl)methyl]-3H-purin-6-one Openeye Name: 9-(1-methyl-4-phenyl-butyl)-2-[[4-(3-thienyl)phenyl]methyl]-3H-purin-6-one CAS Name: 9-(5-phenylpentan-2-yl)-2-[[4-(3-thiophenyl)phenyl]methyl]-3H-purin-6-one IUPAC Name: 9-(5-phenylpentan-2-yl)-2-[(4-thiophen-3-ylphenyl)methyl]-3H-purin-6-one Traditional Name: 9-(1-methyl-4-phenyl-butyl)-2-[4-(3-thienyl)benzyl]-3H-purin-6-one Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC=C(C=C4)C5=CSC=C5

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC=C(C=C4)C5=CSC=C5

InChI

InChI=1S/C27H26N4OS/c1-19(6-5-9-20-7-3-2-4-8-20)31-18-28-25-26(31)29-24(30-27(25)32)16-21-10-12-22(13-11-21)23-14-15-33-17-23/h2-4,7-8,10-15,17-19H,5-6,9,16H2,1H3,(H,29,30,32)