3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-8-cyclopentyl-1-propyl-7H-purine-2,6-dione Traditional Name: 3-[2-(4-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=C(C=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)15-5-3-4-6-15)25(21(26)28)13-11-14-7-9-16(22)10-8-14/h7-10,15H,2-6,11-13,22H2,1H3,(H,23,24)