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

Systemtic Name: [6-(3-methylpentylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(3-methylpentylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(3-methylpentylamino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(3-methylpentylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(3-methylpentylamino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCNC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC(C)CCNC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H30N6O/c1-3-17(2)8-11-22-19-7-6-18(16-25-19)20(28)26-12-5-13-27(15-14-26)21-23-9-4-10-24-21/h4,6-7,9-10,16-17H,3,5,8,11-15H2,1-2H3,(H,22,25)