4-[3-(2-azanyl-6-methyl-pyrimidin-4-yl)phenyl]-8-chloranyl-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(2-azanyl-6-methyl-pyrimidin-4-yl)phenyl]-8-chloranyl-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(2-amino-6-methyl-pyrimidin-4-yl)phenyl]-8-chloro-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(2-amino-6-methyl-4-pyrimidinyl)phenyl]-8-chloro-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-8-chloro-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(2-amino-6-methyl-pyrimidin-4-yl)phenyl]-8-chloro-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC(=NC(=N4)N)C

Isomeric SMILES

CC1=CC2=C(C=C1Cl)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC(=NC(=N4)N)C

InChI

InChI=1S/C21H18ClN5O/c1-11-6-18-19(9-15(11)22)26-20(28)10-17(25-18)14-5-3-4-13(8-14)16-7-12(2)24-21(23)27-16/h3-9H,10H2,1-2H3,(H,26,28)(H2,23,24,27)