tert-butyl (3S)-3-methyl-4-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-methyl-4-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl (3S)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate CAS Name: (3S)-3-methyl-4-[1-methyl-6-oxo-4-(4-pyrimidinyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate Traditional Name: (3S)-4-[6-keto-1-methyl-4-(4-pyrimidyl)pyrimidin-2-yl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O3/c1-13-11-24(18(27)28-19(2,3)4)8-9-25(13)17-22-15(10-16(26)23(17)5)14-6-7-20-12-21-14/h6-7,10,12-13H,8-9,11H2,1-5H3/t13-/m0/s1