1-[(1S,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea Traditional Name: 1-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS2/c1-13-8-6-7-11-16(13)23-21(27)24-25-12-22-19-18(20(25)26)17(14(2)28-19)15-9-4-3-5-10-15/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3,(H2,23,24,27)/t13-,16-/m0/s1