5-methyl-4-oxidanylidene-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-4-oxidanylidene-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-4-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-oxo-3-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-5-methyl-3-[2-[4-(2-pyrimidyl)piperazino]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCN3CCN(CC3)C4=NC=CC=N4)C(=O)N

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCN3CCN(CC3)C4=NC=CC=N4)C(=O)N

InChI

InChI=1S/C18H21N7O2S/c1-12-13-16(28-14(12)15(19)26)22-11-25(17(13)27)10-7-23-5-8-24(9-6-23)18-20-3-2-4-21-18/h2-4,11H,5-10H2,1H3,(H2,19,26)