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

Systemtic Name: 5-nitro-N4-(4-propan-2-ylphenyl)-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(4-isopropylphenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-propan-2-ylphenyl)-N6-propylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-propyl-amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H21N5O2/c1-4-9-17-15-14(21(22)23)16(19-10-18-15)20-13-7-5-12(6-8-13)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18,19,20)