N4-cyclopropyl-5-nitro-N2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-5-nitro-N2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-5-nitro-N2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-5-nitro-N2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-5-nitro-2-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: cyclopropyl-[5-nitro-2-[3-(1,2,4-triazol-1-ylmethyl)anilino]pyrimidin-4-yl]amine Formula: C16H16N8O2 MolecularWeight: 352.35064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=CC(=C3)CN4C=NC=N4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=CC(=C3)CN4C=NC=N4

InChI

InChI=1S/C16H16N8O2/c25-24(26)14-7-18-16(22-15(14)20-12-4-5-12)21-13-3-1-2-11(6-13)8-23-10-17-9-19-23/h1-3,6-7,9-10,12H,4-5,8H2,(H2,18,20,21,22)