N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4/c25-23(26)15-8-4-7-14(11-15)22-18-16(24(27)28)17(20-12-21-18)19-10-9-13-5-2-1-3-6-13/h4-5,7-8,11-12H,1-3,6,9-10H2,(H2,19,20,21,22)