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

Systemtic Name: [6-(3-methylsulfanylpropylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(3-methylsulfanylpropylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-[3-(methylthio)propylamino]-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(3-methylsulfanylpropylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-[3-(methylthio)propylamino]-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C19H26N6OS MolecularWeight: 386.51434

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CSCCCNC1=NC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H26N6OS/c1-27-14-3-9-20-17-6-5-16(15-23-17)18(26)24-10-4-11-25(13-12-24)19-21-7-2-8-22-19/h2,5-8,15H,3-4,9-14H2,1H3,(H,20,23)