2-(2-azanylethylamino)-4-[(3-nitrophenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-(2-azanylethylamino)-4-[(3-nitrophenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-(2-aminoethylamino)-4-(3-nitroanilino)pyrimidine-5-carboxamide CAS Name: 2-(2-aminoethylamino)-4-(3-nitroanilino)-5-pyrimidinecarboxamide IUPAC Name: 2-(2-aminoethylamino)-4-(3-nitroanilino)pyrimidine-5-carboxamide Traditional Name: 2-(2-aminoethylamino)-4-(3-nitroanilino)pyrimidine-5-carboxamide Formula: C13H15N7O3 MolecularWeight: 317.3033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC(=NC=C2C(=O)N)NCCN

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC(=NC=C2C(=O)N)NCCN

InChI

InChI=1S/C13H15N7O3/c14-4-5-16-13-17-7-10(11(15)21)12(19-13)18-8-2-1-3-9(6-8)20(22)23/h1-3,6-7H,4-5,14H2,(H2,15,21)(H2,16,17,18,19)