8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(2-thiophen-3-ylethyl)-8,9-dihydropurine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(2-thiophen-3-ylethyl)-8,9-dihydropurine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(3-thienyl)ethyl]-8,9-dihydropurine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(3-thiophenyl)ethyl]-8,9-dihydropurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(2-thiophen-3-ylethyl)-8,9-dihydropurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(3-thienyl)ethyl]-8,9-dihydropurine-2,6-quinone Formula: C22H32N6O2S MolecularWeight: 444.59348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(NC2=C1C(=O)N(C(=O)N2C)CCC3=CSC=C3)N4CCCC(C4)N)C

Isomeric SMILES

CC(=CCN1C(NC2=C1C(=O)N(C(=O)N2C)CCC3=CSC=C3)N4CCCC(C4)N)C

InChI

InChI=1S/C22H32N6O2S/c1-15(2)6-10-27-18-19(24-21(27)26-9-4-5-17(23)13-26)25(3)22(30)28(20(18)29)11-7-16-8-12-31-14-16/h6,8,12,14,17,21,24H,4-5,7,9-11,13,23H2,1-3H3