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

Systemtic Name: N-cyclopropyl-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-5-nitro-pyrimidin-4-yl]amine Formula: C17H17N7O3S MolecularWeight: 399.42698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C(=NN=C1SC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])C4=CC(=CC=C4)OC

InChI

InChI=1S/C17H17N7O3S/c1-23-15(10-4-3-5-12(8-10)27-2)21-22-17(23)28-16-18-9-13(24(25)26)14(20-16)19-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,18,19,20)