(4S)-1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethylamino]-6-oxidanylidene-4,5-dihydropyrimidine-4-carboxylate

Systemtic Name: (4S)-1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethylamino]-6-oxidanylidene-4,5-dihydropyrimidine-4-carboxylate Openeye Name: (4S)-1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethylamino]-6-oxo-4,5-dihydropyrimidine-4-carboxylate CAS Name: (4S)-1-(4,6-dimethyl-2-pyrimidinyl)-2-[2-(1H-indol-3-yl)ethylamino]-6-oxo-4,5-dihydropyrimidine-4-carboxylate IUPAC Name: (4S)-1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethylamino]-6-oxo-4,5-dihydropyrimidine-4-carboxylate Traditional Name: (4S)-1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethylamino]-6-keto-4,5-dihydropyrimidine-4-carboxylate Formula: C21H21N6O3- MolecularWeight: 405.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)CC(N=C2NCCC3=CNC4=CC=CC=C43)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C[C@H](N=C2NCCC3=CNC4=CC=CC=C43)C(=O)[O-])C

InChI

InChI=1S/C21H22N6O3/c1-12-9-13(2)25-21(24-12)27-18(28)10-17(19(29)30)26-20(27)22-8-7-14-11-23-16-6-4-3-5-15(14)16/h3-6,9,11,17,23H,7-8,10H2,1-2H3,(H,22,26)(H,29,30)/p-1/t17-/m0/s1