diethyl-[(3S)-1-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpyrrolidin-3-yl]azanium

Systemtic Name: diethyl-[(3S)-1-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-[5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[oxo-[5-propan-2-yl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-[5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]ammonium Formula: C23H31N6OS+ MolecularWeight: 439.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C(C)C

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C(C)C

InChI

InChI=1S/C23H30N6OS/c1-5-27(6-2)17-10-12-28(15-17)22(30)18-14-25-29(21(18)16(3)4)23-24-11-9-19(26-23)20-8-7-13-31-20/h7-9,11,13-14,16-17H,5-6,10,12,15H2,1-4H3/p+1/t17-/m0/s1