3-[3-(2-cyclohexylimino-4-methyl-pyridin-1-yl)-3-oxidanylidene-propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(2-cyclohexylimino-4-methyl-pyridin-1-yl)-3-oxidanylidene-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(2-cyclohexylimino-4-methyl-1-pyridyl)-3-oxo-propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(2-cyclohexylimino-4-methyl-1-pyridinyl)-3-oxopropyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(2-cyclohexylimino-4-methylpyridin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(2-cyclohexylimino-4-methyl-1-pyridyl)-3-keto-propyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C21H24N4O2S/c1-15-7-11-25(18(13-15)23-16-5-3-2-4-6-16)19(26)8-10-24-14-22-20-17(21(24)27)9-12-28-20/h7,9,11-14,16H,2-6,8,10H2,1H3