8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[3-(1-imidazolyl)propylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H23N7O2/c1-14-5-3-6-15(11-14)12-27-16-17(25(2)20(29)24-18(16)28)23-19(27)22-7-4-9-26-10-8-21-13-26/h3,5-6,8,10-11,13H,4,7,9,12H2,1-2H3,(H,22,23)(H,24,28,29)