8-(3-azanylpiperidin-1-yl)-1-(2-indol-1-yl-2-oxidanylidene-ethyl)-3-methyl-7-(3-methylbut-2-enyl)-8,9-dihydropurine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-(2-indol-1-yl-2-oxidanylidene-ethyl)-3-methyl-7-(3-methylbut-2-enyl)-8,9-dihydropurine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-1-(2-indol-1-yl-2-oxo-ethyl)-3-methyl-7-(3-methylbut-2-enyl)-8,9-dihydropurine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-1-[2-(1-indolyl)-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8,9-dihydropurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-1-(2-indol-1-yl-2-oxoethyl)-3-methyl-7-(3-methylbut-2-enyl)-8,9-dihydropurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1-(2-indol-1-yl-2-keto-ethyl)-3-methyl-7-(3-methylbut-2-enyl)-8,9-dihydropurine-2,6-quinone Formula: C26H33N7O3 MolecularWeight: 491.58532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3C=CC4=CC=CC=C43)N5CCCC(C5)N)C

Isomeric SMILES

CC(=CCN1C(NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3C=CC4=CC=CC=C43)N5CCCC(C5)N)C

InChI

InChI=1S/C26H33N7O3/c1-17(2)10-13-32-22-23(28-25(32)30-12-6-8-19(27)15-30)29(3)26(36)33(24(22)35)16-21(34)31-14-11-18-7-4-5-9-20(18)31/h4-5,7,9-11,14,19,25,28H,6,8,12-13,15-16,27H2,1-3H3