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

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C21H21N5O4 MolecularWeight: 407.42254

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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)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-13(2)14-3-5-15(6-4-14)24-20-19(26(27)28)21(23-12-22-20)25-16-7-8-17-18(11-16)30-10-9-29-17/h3-8,11-13H,9-10H2,1-2H3,(H2,22,23,24,25)