4-(cyclopropylamino)-2-[[3-(1,2,4-triazol-1-yl)phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 4-(cyclopropylamino)-2-[[3-(1,2,4-triazol-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide CAS Name: 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide Traditional Name: 4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide Formula: C16H16N8O MolecularWeight: 336.35124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2C(=O)N)NC3=CC=CC(=C3)N4C=NC=N4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2C(=O)N)NC3=CC=CC(=C3)N4C=NC=N4

InChI

InChI=1S/C16H16N8O/c17-14(25)13-7-19-16(23-15(13)21-10-4-5-10)22-11-2-1-3-12(6-11)24-9-18-8-20-24/h1-3,6-10H,4-5H2,(H2,17,25)(H2,19,21,22,23)