2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H21N7OS2 MolecularWeight: 415.53564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C18H21N7OS2/c1-11-12(2)28-16-14(11)15(19)22-18(23-16)27-10-13(26)24-6-8-25(9-7-24)17-20-4-3-5-21-17/h3-5H,6-10H2,1-2H3,(H2,19,22,23)