2-(2,3-dihydroindol-1-yl)-N-(phenylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-(2,3-dihydroindol-1-yl)-N-(phenylmethyl)-4-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-indolin-1-yl-4-(2-thienylmethylamino)pyrimidine-5-carboxamide CAS Name: 2-(2,3-dihydroindol-1-yl)-N-(phenylmethyl)-4-(thiophen-2-ylmethylamino)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-(2,3-dihydroindol-1-yl)-4-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-2-indolin-1-yl-4-(2-thenylamino)pyrimidine-5-carboxamide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=NC=C(C(=N3)NCC4=CC=CS4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=NC=C(C(=N3)NCC4=CC=CS4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H23N5OS/c31-24(27-15-18-7-2-1-3-8-18)21-17-28-25(29-23(21)26-16-20-10-6-14-32-20)30-13-12-19-9-4-5-11-22(19)30/h1-11,14,17H,12-13,15-16H2,(H,27,31)(H,26,28,29)