5-[4-[4-(4-chloranylpyrimidin-2-yl)piperazin-1-yl]butoxy]-2-methyl-1,2,4-triazin-3-one

Systemtic Name: 5-[4-[4-(4-chloranylpyrimidin-2-yl)piperazin-1-yl]butoxy]-2-methyl-1,2,4-triazin-3-one Openeye Name: 5-[4-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]butoxy]-2-methyl-1,2,4-triazin-3-one CAS Name: 5-[4-[4-(4-chloro-2-pyrimidinyl)-1-piperazinyl]butoxy]-2-methyl-1,2,4-triazin-3-one IUPAC Name: 5-[4-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]butoxy]-2-methyl-1,2,4-triazin-3-one Traditional Name: 5-[4-[4-(4-chloropyrimidin-2-yl)piperazino]butoxy]-2-methyl-1,2,4-triazin-3-one Formula: C16H22ClN7O2 MolecularWeight: 379.84458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N=C(C=N1)OCCCCN2CCN(CC2)C3=NC=CC(=N3)Cl

Isomeric SMILES

CN1C(=O)N=C(C=N1)OCCCCN2CCN(CC2)C3=NC=CC(=N3)Cl

InChI

InChI=1S/C16H22ClN7O2/c1-22-16(25)21-14(12-19-22)26-11-3-2-6-23-7-9-24(10-8-23)15-18-5-4-13(17)20-15/h4-5,12H,2-3,6-11H2,1H3