6-ethyl-5-[3-nitro-4-[(phenylmethyl)amino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[3-nitro-4-[(phenylmethyl)amino]phenyl]pyrimidine-2,4-diamine Openeye Name: 5-[4-(benzylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-nitro-4-[(phenylmethyl)amino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-[4-(benzylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: benzyl-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]amine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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