N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C20H22N8O MolecularWeight: 390.44168

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C1=NC=NC=C1NC(=O)C2=NN(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCCN(CCC#N)C1=NC=NC=C1NC(=O)C2=NN(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N8O/c1-3-11-27(12-7-10-21)19-17(13-22-14-23-19)24-20(29)18-15(2)25-28(26-18)16-8-5-4-6-9-16/h4-6,8-9,13-14H,3,7,11-12H2,1-2H3,(H,24,29)