methyl 2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate hydrochloride

Systemtic Name: methyl 2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate hydrochloride Openeye Name: methyl 2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate hydrochloride CAS Name: 2-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate hydrochloride Traditional Name: 2-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester hydrochloride Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C.Cl

Isomeric SMILES

CC1(CNC(=NC1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C.Cl

InChI

InChI=1S/C17H20N4O3S.ClH/c1-17(2)8-18-16(19-9-17)25-7-13-20-12-6-10(15(23)24-3)4-5-11(12)14(22)21-13;/h4-6H,7-9H2,1-3H3,(H,18,19)(H,20,21,22);1H