8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-imidazol-1-ylpropylamino)-3-methyl-purine-2,6-dione CAS Name: 8-[3-(1-imidazolyl)propylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3-imidazol-1-ylpropylamino)-3-methyl-xanthine Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N7O2/c1-24-16-15(17(27)23-19(24)28)26(12-14-6-3-2-4-7-14)18(22-16)21-8-5-10-25-11-9-20-13-25/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H,21,22)(H,23,27,28)