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

Systemtic Name: diethyl-[(3S)-1-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonylpyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[[5-methyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]ammonium Formula: C22H29N6OS+ MolecularWeight: 425.57026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6OS/c1-5-26(6-2)17-9-10-27(14-17)21(29)18-13-24-28(16(18)4)22-23-12-15(3)20(25-22)19-8-7-11-30-19/h7-8,11-13,17H,5-6,9-10,14H2,1-4H3/p+1/t17-/m0/s1