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

Systemtic Name: N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyrimidin-4-yl]amine Formula: C19H21N7O3S MolecularWeight: 427.48014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CCOC)SC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CCOC)SC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O3S/c1-12-4-3-5-13(10-12)17-23-24-19(25(17)8-9-29-2)30-18-20-11-15(26(27)28)16(22-18)21-14-6-7-14/h3-5,10-11,14H,6-9H2,1-2H3,(H,20,21,22)