methyl 4-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC)N

InChI

InChI=1S/C21H23N5O3S/c1-12-10-16(22)24-20(23-12)30-11-15-17(19(27)29-2)18(13-6-4-3-5-7-13)25-21(28)26(15)14-8-9-14/h3-7,10,14,18H,8-9,11H2,1-2H3,(H,25,28)(H2,22,23,24)