2-methyl-6-(phenylmethyl)-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one

Systemtic Name: 2-methyl-6-(phenylmethyl)-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one Openeye Name: 6-benzyl-2-methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one CAS Name: 2-methyl-6-(phenylmethyl)-5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butoxy]-1,2,4-triazin-3-one IUPAC Name: 6-benzyl-2-methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one Traditional Name: 6-benzyl-2-methyl-5-[4-[4-(2-pyrimidyl)piperazino]butoxy]-1,2,4-triazin-3-one Formula: C23H29N7O2 MolecularWeight: 435.52206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N=C(C(=N1)CC2=CC=CC=C2)OCCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C(=O)N=C(C(=N1)CC2=CC=CC=C2)OCCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H29N7O2/c1-28-23(31)26-21(20(27-28)18-19-8-3-2-4-9-19)32-17-6-5-12-29-13-15-30(16-14-29)22-24-10-7-11-25-22/h2-4,7-11H,5-6,12-18H2,1H3