methyl 4-(6-aminocarbonyl-5-azanyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidin-1-yl)butanoate

Systemtic Name: methyl 4-(6-aminocarbonyl-5-azanyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidin-1-yl)butanoate Openeye Name: methyl 4-(5-amino-6-carbamoyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidin-1-yl)butanoate CAS Name: 4-[5-amino-6-carbamoyl-2-(methylthio)-4-phenyl-7aH-thieno[2,3-d]pyrimidin-1-yl]butanoic acid methyl ester IUPAC Name: methyl 4-(5-amino-6-carbamoyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidin-1-yl)butanoate Traditional Name: 4-[5-amino-6-carbamoyl-2-(methylthio)-4-phenyl-7aH-thieno[2,3-d]pyrimidin-1-yl]butyric acid methyl ester Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C2C(=C(N=C1SC)C3=CC=CC=C3)C(=C(S2)C(=O)N)N

Isomeric SMILES

COC(=O)CCCN1C2C(=C(N=C1SC)C3=CC=CC=C3)C(=C(S2)C(=O)N)N

InChI

InChI=1S/C19H22N4O3S2/c1-26-12(24)9-6-10-23-18-13(14(20)16(28-18)17(21)25)15(22-19(23)27-2)11-7-4-3-5-8-11/h3-5,7-8,18H,6,9-10,20H2,1-2H3,(H2,21,25)