8-(1-phenylbutan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(1-phenylbutan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpropyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(1-phenylbutan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1-phenylbutan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpropyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-4-12-24-19-17(20(26)25(13-5-2)21(24)27)22-18(23-19)16(6-3)14-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3,(H,22,23)