5-nitro-N4-(4-propan-2-ylphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(4-propan-2-ylphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-isopropylphenyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-propan-2-ylphenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-propan-2-ylphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(3-pyridylmethyl)amine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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