N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-(6-cumidino-5-nitro-pyrimidin-4-yl)amine Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-12(2)13-3-5-14(6-4-13)23-19-18(25(26)27)20(22-10-21-19)24-15-7-8-16-17(9-15)29-11-28-16/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24)