4-[[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one CAS Name: 4-[[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-pyrimidinyl]amino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one Formula: C17H16N8O MolecularWeight: 348.36194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=NC=NN2C)NCC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CN=C(N=C1C2=NC=NN2C)NCC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C17H16N8O/c1-10-7-18-17(22-14(10)15-20-9-21-25(15)2)19-8-13-11-5-3-4-6-12(11)16(26)24-23-13/h3-7,9H,8H2,1-2H3,(H,24,26)(H,18,19,22)