3-methyl-8-[4-(phenylmethyl)piperazin-1-yl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-(phenylmethyl)piperazin-1-yl]-7-propyl-purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-(phenylmethyl)-1-piperazinyl]-7-propylpurine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperazino)-3-methyl-7-propyl-xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N6O2/c1-3-9-26-16-17(23(2)20(28)22-18(16)27)21-19(26)25-12-10-24(11-13-25)14-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,22,27,28)