3-methyl-7-pentyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-pentyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O2/c1-3-4-8-11-27-17-18(24(2)21(29)23-19(17)28)22-20(27)26-14-12-25(13-15-26)16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3,(H,23,28,29)