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

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-5-nitro-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-isoamyl-amine Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H25N5O2/c1-12(2)9-10-19-17-16(23(24)25)18(21-11-20-17)22-15-7-5-14(6-8-15)13(3)4/h5-8,11-13H,9-10H2,1-4H3,(H2,19,20,21,22)