2-[4-methyl-3-oxidanylidene-7-[2-(pyrimidin-2-ylamino)ethylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[4-methyl-3-oxidanylidene-7-[2-(pyrimidin-2-ylamino)ethylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[4-methyl-3-oxo-7-[2-(pyrimidin-2-ylamino)ethylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[4-methyl-3-oxo-7-[oxo-[2-(2-pyrimidinylamino)ethylamino]methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[4-methyl-3-oxo-7-[2-(pyrimidin-2-ylamino)ethylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-keto-4-methyl-7-[2-(2-pyrimidylamino)ethylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C19H21N6O4- MolecularWeight: 397.40784

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCCNC3=NC=CC=N3)NC(C1=O)CC(=O)[O-]

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCCNC3=NC=CC=N3)NC(C1=O)CC(=O)[O-]

InChI

InChI=1S/C19H22N6O4/c1-25-11-13-9-12(3-4-14(13)24-15(18(25)29)10-16(26)27)17(28)20-7-8-23-19-21-5-2-6-22-19/h2-6,9,15,24H,7-8,10-11H2,1H3,(H,20,28)(H,26,27)(H,21,22,23)/p-1