2-cyclopropyl-9-(5-phenylpentan-2-yl)-3H-purin-6-one

Systemtic Name: 2-cyclopropyl-9-(5-phenylpentan-2-yl)-3H-purin-6-one Openeye Name: 2-cyclopropyl-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one CAS Name: 2-cyclopropyl-9-(5-phenylpentan-2-yl)-3H-purin-6-one IUPAC Name: 2-cyclopropyl-9-(5-phenylpentan-2-yl)-3H-purin-6-one Traditional Name: 2-cyclopropyl-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one Formula: C19H22N4O MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CC4

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CC4

InChI

InChI=1S/C19H22N4O/c1-13(6-5-9-14-7-3-2-4-8-14)23-12-20-16-18(23)21-17(15-10-11-15)22-19(16)24/h2-4,7-8,12-13,15H,5-6,9-11H2,1H3,(H,21,22,24)