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

Systemtic Name: 4-[3-(6-azanylpyrimidin-4-yl)phenyl]-8-chloranyl-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(6-aminopyrimidin-4-yl)phenyl]-8-chloro-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(6-amino-4-pyrimidinyl)phenyl]-8-chloro-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(6-aminopyrimidin-4-yl)phenyl]-8-chloro-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(6-aminopyrimidin-4-yl)phenyl]-8-chloro-7-methyl-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C20H16ClN5O MolecularWeight: 377.82694

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O/c1-11-5-17-18(7-14(11)21)26-20(27)9-16(25-17)13-4-2-3-12(6-13)15-8-19(22)24-10-23-15/h2-8,10H,9H2,1H3,(H,26,27)(H2,22,23,24)