N4-cyclopropyl-5-nitro-N2-[phenyl(thiophen-2-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-5-nitro-N2-[phenyl(thiophen-2-yl)methyl]pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-5-nitro-N2-[phenyl(2-thienyl)methyl]pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-5-nitro-N2-[phenyl(thiophen-2-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-5-nitro-2-N-[phenyl(thiophen-2-yl)methyl]pyrimidine-2,4-diamine Traditional Name: cyclopropyl-[5-nitro-2-[[phenyl(2-thienyl)methyl]amino]pyrimidin-4-yl]amine Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C18H17N5O2S/c24-23(25)14-11-19-18(22-17(14)20-13-8-9-13)21-16(15-7-4-10-26-15)12-5-2-1-3-6-12/h1-7,10-11,13,16H,8-9H2,(H2,19,20,21,22)