8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-1-benzyl-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-1-benzyl-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1-benzyl-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C23H30N6O2/c1-16(2)11-13-28-19-20(25-22(28)27-12-7-10-18(24)15-27)26(3)23(31)29(21(19)30)14-17-8-5-4-6-9-17/h4-6,8-9,11,18H,7,10,12-15,24H2,1-3H3