6-azanyl-9-cyclopentyl-7-(4-phenoxyphenyl)purin-8-one

Systemtic Name: 6-azanyl-9-cyclopentyl-7-(4-phenoxyphenyl)purin-8-one Openeye Name: 6-amino-9-cyclopentyl-7-(4-phenoxyphenyl)purin-8-one CAS Name: 6-amino-9-cyclopentyl-7-(4-phenoxyphenyl)-8-purinone IUPAC Name: 6-amino-9-cyclopentyl-7-(4-phenoxyphenyl)purin-8-one Traditional Name: 6-amino-9-cyclopentyl-7-(4-phenoxyphenyl)purin-8-one Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2/c23-20-19-21(25-14-24-20)27(15-6-4-5-7-15)22(28)26(19)16-10-12-18(13-11-16)29-17-8-2-1-3-9-17/h1-3,8-15H,4-7H2,(H2,23,24,25)