N2-(3,4-dimethylphenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3,4-dimethylphenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-N2-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3,4-dimethylphenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-(3,4-dimethylphenyl)amine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N)C

InChI

InChI=1S/C19H20N6O2/c1-12-8-9-15(10-13(12)2)22-19-23-17(20)16(25(26)27)18(24-19)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H4,20,21,22,23,24)