methyl (3R)-3-methyl-4-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate

Systemtic Name: methyl (3R)-3-methyl-4-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate Openeye Name: methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate CAS Name: (3R)-3-methyl-4-[1-methyl-6-oxo-4-(4-pyrimidinyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate Traditional Name: (3R)-4-[6-keto-1-methyl-4-(4-pyrimidyl)pyrimidin-2-yl]-3-methyl-piperazine-1-carboxylic acid methyl ester Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC(=CC(=O)N2C)C3=NC=NC=C3)C(=O)OC

Isomeric SMILES

C[C@@H]1CN(CCN1C2=NC(=CC(=O)N2C)C3=NC=NC=C3)C(=O)OC

InChI

InChI=1S/C16H20N6O3/c1-11-9-21(16(24)25-3)6-7-22(11)15-19-13(8-14(23)20(15)2)12-4-5-17-10-18-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1