8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(piperonylamino)xanthine Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC5=C(C=C4)OCO5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC5=C(C=C4)OCO5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H23N5O4/c1-14-5-4-6-16(9-14)12-28-19-20(26(2)23(30)27(3)21(19)29)25-22(28)24-11-15-7-8-17-18(10-15)32-13-31-17/h4-10H,11-13H2,1-3H3,(H,24,25)