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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-3-methyl-7-(2-methylbenzyl)xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2N4CCCC(C4)N)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2N4CCCC(C4)N)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H24N6O2/c1-12-6-3-4-7-13(12)10-25-15-16(23(2)19(27)22-17(15)26)21-18(25)24-9-5-8-14(20)11-24/h3-4,6-7,14H,5,8-11,20H2,1-2H3,(H,22,26,27)