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

Systemtic Name: 5-nitro-N6-(phenylmethyl)-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(phenylmethyl)-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: benzyl-(6-cumidino-5-nitro-pyrimidin-4-yl)amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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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=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-14(2)16-8-10-17(11-9-16)24-20-18(25(26)27)19(22-13-23-20)21-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H2,21,22,23,24)