[6-(cyclopropylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(cyclopropylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(cyclopropylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(cyclopropylamino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(cyclopropylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(cyclopropylamino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)NC3CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)NC3CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H22N6O/c25-17(14-3-6-16(21-13-14)22-15-4-5-15)23-9-2-10-24(12-11-23)18-19-7-1-8-20-18/h1,3,6-8,13,15H,2,4-5,9-12H2,(H,21,22)