N4-methyl-5-nitro-N2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrimidine-2,4-diamine

Systemtic Name: N4-methyl-5-nitro-N2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrimidine-2,4-diamine Openeye Name: N4-methyl-5-nitro-N2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrimidine-2,4-diamine CAS Name: N4-methyl-5-nitro-N2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrimidine-2,4-diamine IUPAC Name: 4-N-methyl-5-nitro-2-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrimidine-2,4-diamine Traditional Name: methyl-[5-nitro-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamino)pyrimidin-4-yl]amine Formula: C15H18N6O2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC3=C(CCNCC3)C=C2

Isomeric SMILES

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC3=C(CCNCC3)C=C2

InChI

InChI=1S/C15H18N6O2/c1-16-14-13(21(22)23)9-18-15(20-14)19-12-3-2-10-4-6-17-7-5-11(10)8-12/h2-3,8-9,17H,4-7H2,1H3,(H2,16,18,19,20)