azanium 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylate

Systemtic Name: azanium 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylate Openeye Name: ammonium 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylate CAS Name: ammonium 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-[4-(2-pyrazolo[1,5-a]pyrimidinyl)phenyl]-2-thiophenecarboxylate IUPAC Name: azanium 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylate Traditional Name: ammonium 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)-2-thenoate Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=NN5C=CC=NC5=C4)C(=O)[O-])C(C)C.[NH4+]

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=NN5C=CC=NC5=C4)C(=O)[O-])C(C)C.[NH4+]

InChI

InChI=1S/C28H30N4O3S.H3N/c1-17(2)32(27(33)21-7-5-18(3)6-8-21)23-16-24(36-26(23)28(34)35)20-11-9-19(10-12-20)22-15-25-29-13-4-14-31(25)30-22;/h4,9-18,21H,5-8H2,1-3H3,(H,34,35);1H3