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

Systemtic Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-N4-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-5-nitro-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-(6-cumidino-5-nitro-pyrimidin-4-yl)amine Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O2/c1-13(2)14-7-9-16(10-8-14)25-20-18(26(27)28)19(23-12-24-20)22-11-15-5-3-4-6-17(15)21/h3-10,12-13H,11H2,1-2H3,(H2,22,23,24,25)