3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methyl-1-piperazinyl)methyl]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-[(4-methylpiperazino)methyl]-7-(3-phenylpropyl)xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H28N6O2/c1-24-11-13-26(14-12-24)15-17-22-19-18(20(28)23-21(29)25(19)2)27(17)10-6-9-16-7-4-3-5-8-16/h3-5,7-8H,6,9-15H2,1-2H3,(H,23,28,29)