8-cyclopentyl-1-(phenylmethyl)-3-propyl-7H-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-1-(phenylmethyl)-3-propyl-7H-purine-2,6-dione Openeye Name: 1-benzyl-8-cyclopentyl-3-propyl-7H-purine-2,6-dione CAS Name: 8-cyclopentyl-1-(phenylmethyl)-3-propyl-7H-purine-2,6-dione IUPAC Name: 1-benzyl-8-cyclopentyl-3-propyl-7H-purine-2,6-dione Traditional Name: 1-benzyl-8-cyclopentyl-3-propyl-7H-purine-2,6-quinone Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)C4CCCC4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)C4CCCC4

InChI

InChI=1S/C20H24N4O2/c1-2-12-23-18-16(21-17(22-18)15-10-6-7-11-15)19(25)24(20(23)26)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,21,22)