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

Systemtic Name: [(3S)-1-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpyrrolidin-3-yl]-diethyl-azanium Openeye Name: [(3S)-1-[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium CAS Name: [(3S)-1-[[5-cyclopropyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-3-pyrrolidinyl]-diethylammonium IUPAC Name: [(3S)-1-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]pyrrolidin-3-yl]-diethylazanium Traditional Name: [(3S)-1-[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium Formula: C23H29N6OS+ MolecularWeight: 437.58096

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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)C5CC5

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C5CC5

InChI

InChI=1S/C23H28N6OS/c1-3-27(4-2)17-10-12-28(15-17)22(30)18-14-25-29(21(18)16-7-8-16)23-24-11-9-19(26-23)20-6-5-13-31-20/h5-6,9,11,13-14,16-17H,3-4,7-8,10,12,15H2,1-2H3/p+1/t17-/m0/s1