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

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c30-29(31)22-23(25-16-15-18-7-3-1-4-8-18)26-17-27-24(22)28-19-11-13-21(14-12-19)32-20-9-5-2-6-10-20/h2,5-7,9-14,17H,1,3-4,8,15-16H2,(H2,25,26,27,28)