2-(1,3-benzodioxol-5-yl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one CAS Name: 2-(1,3-benzodioxol-5-yl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one IUPAC Name: 2-(1,3-benzodioxol-5-yl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N4O3/c1-15(6-5-9-16-7-3-2-4-8-16)27-13-24-20-22(27)25-21(26-23(20)28)17-10-11-18-19(12-17)30-14-29-18/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3,(H,25,26,28)