N4-methyl-5-nitro-N4-(phenylmethyl)-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-5-nitro-N4-(phenylmethyl)-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-isopropylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N4-(phenylmethyl)-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: benzyl-(6-cumidino-5-nitro-pyrimidin-4-yl)-methyl-amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O2/c1-15(2)17-9-11-18(12-10-17)24-20-19(26(27)28)21(23-14-22-20)25(3)13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,22,23,24)