methyl 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-propan-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylbutanoate

Systemtic Name: methyl 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-propan-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylbutanoate Openeye Name: methyl 2-(7-isopropyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylbutanoate CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-propan-2-yl-5-pyrimido[4,5-d]pyrimidinyl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylbutanoate Traditional Name: 2-[(7-isopropyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]butyric acid methyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C(C)C

Isomeric SMILES

CCC(C(=O)OC)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C(C)C

InChI

InChI=1S/C16H22N4O4S/c1-7-9(15(22)24-6)25-13-10-12(17-11(18-13)8(2)3)19(4)16(23)20(5)14(10)21/h8-9H,7H2,1-6H3