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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(2-oxidanylidenechromen-4-yl)methyl]purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(2-oxochromen-4-yl)methyl]purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(2-oxo-1-benzopyran-4-yl)methyl]purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(2-oxochromen-4-yl)methyl]purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1-[(2-ketochromen-4-yl)methyl]-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C26H30N6O4 MolecularWeight: 490.5542

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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)OC5=CC=CC=C54)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC(=O)OC5=CC=CC=C54)C)C

InChI

InChI=1S/C26H30N6O4/c1-16(2)10-12-31-22-23(28-25(31)30-11-6-7-18(27)15-30)29(3)26(35)32(24(22)34)14-17-13-21(33)36-20-9-5-4-8-19(17)20/h4-5,8-10,13,18H,6-7,11-12,14-15,27H2,1-3H3