2-[(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C21H19ClN4O2S2 MolecularWeight: 458.98416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C21H19ClN4O2S2/c22-12-6-7-14-16(10-12)24-21(26(20(14)28)13-4-2-1-3-5-13)30-11-17-23-15-8-9-29-18(15)19(27)25-17/h6-10,13H,1-5,11H2,(H,23,25,27)