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

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[2-(1H-indol-3-yl)ethyl]-6-oxidanylidene-4,5-dihydropyrimidine-4-carboxylate Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidine-4-carboxylate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidine-4-carboxylate IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidine-4-carboxylate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[2-(1H-indol-3-yl)ethyl]-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)NC2=NC(=O)CC(N2CCC3=CNC4=CC=CC=C43)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=NC(=O)CC(N2CCC3=CNC4=CC=CC=C43)C(=O)[O-])C

InChI

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