N-cyclopropyl-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]-5-nitro-pyrimidin-4-yl]amine Formula: C19H21N7O2S MolecularWeight: 411.48074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])C4=CC(=CC=C4)C

InChI

InChI=1S/C19H21N7O2S/c1-3-9-25-17(13-6-4-5-12(2)10-13)23-24-19(25)29-18-20-11-15(26(27)28)16(22-18)21-14-7-8-14/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,20,21,22)