7-heptyl-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-heptyl-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-heptyl-3-methyl-xanthine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H29N5O2/c1-4-5-6-7-11-14-26-17-18(25(3)21(28)23-19(17)27)22-20(26)24(2)15-16-12-9-8-10-13-16/h8-10,12-13H,4-7,11,14-15H2,1-3H3,(H,23,27,28)