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

Systemtic Name: 3-azanyl-5,6-dimethyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-5,6-dimethyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-5,6-dimethyl-2-[3-(4-phenyl-1-piperazinyl)propylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-5,6-dimethyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-5,6-dimethyl-2-[3-(4-phenylpiperazino)propylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H27N5OS2 MolecularWeight: 429.60198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC=CC=C4)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC=CC=C4)N)C

InChI

InChI=1S/C21H27N5OS2/c1-15-16(2)29-19-18(15)20(27)26(22)21(23-19)28-14-6-9-24-10-12-25(13-11-24)17-7-4-3-5-8-17/h3-5,7-8H,6,9-14,22H2,1-2H3