3-azanyl-2-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[[1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]thio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[[2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H25N5O2S2 MolecularWeight: 443.5855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C21H25N5O2S2/c1-3-24-9-11-25(12-10-24)19(27)14(2)30-21-23-18-17(20(28)26(21)22)16(13-29-18)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12,22H2,1-2H3