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

Systemtic Name: 3-azanyl-5,6-dimethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-5,6-dimethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-5,6-dimethyl-2-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-5,6-dimethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-5,6-dimethyl-2-[2-[4-(2-pyrimidyl)piperazino]ethylthio]thieno[2,3-d]pyrimidin-4-one Formula: C18H23N7OS2 MolecularWeight: 417.55152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCN3CCN(CC3)C4=NC=CC=N4)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCN3CCN(CC3)C4=NC=CC=N4)N)C

InChI

InChI=1S/C18H23N7OS2/c1-12-13(2)28-15-14(12)16(26)25(19)18(22-15)27-11-10-23-6-8-24(9-7-23)17-20-4-3-5-21-17/h3-5H,6-11,19H2,1-2H3