8-(3-azanylpiperidin-1-yl)-1-(cinnolin-4-ylmethyl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-(cinnolin-4-ylmethyl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-1-(cinnolin-4-ylmethyl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-1-(4-cinnolinylmethyl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-1-(cinnolin-4-ylmethyl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1-(cinnolin-4-ylmethyl)-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C25H30N8O2 MolecularWeight: 474.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CN=NC5=CC=CC=C54)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CN=NC5=CC=CC=C54)C)C

InChI

InChI=1S/C25H30N8O2/c1-16(2)10-12-32-21-22(28-24(32)31-11-6-7-18(26)15-31)30(3)25(35)33(23(21)34)14-17-13-27-29-20-9-5-4-8-19(17)20/h4-5,8-10,13,18H,6-7,11-12,14-15,26H2,1-3H3