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

Systemtic Name: methyl 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C20H22N6O3S/c1-29-18(27)16-13(10-30-19-23-14(21)9-15(22)24-19)26(12-7-8-12)20(28)25-17(16)11-5-3-2-4-6-11/h2-6,9,12,17H,7-8,10H2,1H3,(H,25,28)(H4,21,22,23,24)