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

Systemtic Name: N4-cyclopropyl-N2-[(4-methylphenyl)-thiophen-2-yl-methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-5-nitro-N2-[p-tolyl(2-thienyl)methyl]pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[(4-methylphenyl)-thiophen-2-ylmethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: cyclopropyl-[5-nitro-2-[[p-tolyl(2-thienyl)methyl]amino]pyrimidin-4-yl]amine Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2S/c1-12-4-6-13(7-5-12)17(16-3-2-10-27-16)22-19-20-11-15(24(25)26)18(23-19)21-14-8-9-14/h2-7,10-11,14,17H,8-9H2,1H3,(H2,20,21,22,23)