1-(azepan-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propan-1-one Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS2/c1-15(21(25)24-11-7-2-3-8-12-24)26-19-17-13-18(16-9-5-4-6-10-16)27-20(17)23-14-22-19/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3