(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-(2-thienylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-N-(thiophen-2-ylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-(2-thenyl)pyrrolidine-2-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)NCC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H22N4O2S/c1-15-5-2-6-16(13-15)27-19-9-10-22-21(24-19)25-11-3-8-18(25)20(26)23-14-17-7-4-12-28-17/h2,4-7,9-10,12-13,18H,3,8,11,14H2,1H3,(H,23,26)/t18-/m0/s1