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

Systemtic Name: 3-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C20H22N4O2S2/c21-24-19(26)17-15(14-8-4-3-5-9-14)12-27-18(17)22-20(24)28-13-16(25)23-10-6-1-2-7-11-23/h3-5,8-9,12H,1-2,6-7,10-11,13,21H2