3-[2-(3-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(3-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(3-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(3-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(3-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-quinone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC(=CC=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC(=CC=C4)N

InChI

InChI=1S/C21H27N5O2/c1-2-11-26-20(27)17-19(24-18(23-17)15-7-3-4-8-15)25(21(26)28)12-10-14-6-5-9-16(22)13-14/h5-6,9,13,15H,2-4,7-8,10-12,22H2,1H3,(H,23,24)