8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(1-methyl-2-oxidanylidene-quinolin-4-yl)methyl]purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(1-methyl-2-oxidanylidene-quinolin-4-yl)methyl]purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(1-methyl-2-oxo-4-quinolyl)methyl]purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(1-methyl-2-oxo-4-quinolinyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(1-methyl-2-oxoquinolin-4-yl)methyl]purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1-[(2-keto-1-methyl-4-quinolyl)methyl]-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C27H33N7O3 MolecularWeight: 503.59602

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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(=O)N(C5=CC=CC=C54)C)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC(=O)N(C5=CC=CC=C54)C)C)C

InChI

InChI=1S/C27H33N7O3/c1-17(2)11-13-33-23-24(29-26(33)32-12-7-8-19(28)16-32)31(4)27(37)34(25(23)36)15-18-14-22(35)30(3)21-10-6-5-9-20(18)21/h5-6,9-11,14,19H,7-8,12-13,15-16,28H2,1-4H3