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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)-8,9-dihydropurine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxo-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-oxo-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-oxo-2-thiophen-3-ylethyl)-8,9-dihydropurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1-[2-keto-2-(3-thienyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8,9-dihydropurine-2,6-quinone Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O3S/c1-14(2)6-9-27-18-19(24-21(27)26-8-4-5-16(23)11-26)25(3)22(31)28(20(18)30)12-17(29)15-7-10-32-13-15/h6-7,10,13,16,21,24H,4-5,8-9,11-12,23H2,1-3H3