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

Systemtic Name: N4-cyclopropyl-N2-[(4-fluorophenyl)-thiophen-2-yl-methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-[(4-fluorophenyl)-(2-thienyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: cyclopropyl-[2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H16FN5O2S MolecularWeight: 385.415343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN5O2S/c19-12-5-3-11(4-6-12)16(15-2-1-9-27-15)22-18-20-10-14(24(25)26)17(23-18)21-13-7-8-13/h1-6,9-10,13,16H,7-8H2,(H2,20,21,22,23)