2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide CAS Name: 2-[2-(hydroxymethyl)-1-pyrrolidinyl]-4-(phenylthio)-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 2-(2-methylolpyrrolidino)-4-(phenylthio)-N-(2-pyrimidylmethyl)pyrimidine-5-carboxamide Formula: C21H22N6O2S MolecularWeight: 422.50338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=C(C(=N2)SC3=CC=CC=C3)C(=O)NCC4=NC=CC=N4)CO

Isomeric SMILES

C1CC(N(C1)C2=NC=C(C(=N2)SC3=CC=CC=C3)C(=O)NCC4=NC=CC=N4)CO

InChI

InChI=1S/C21H22N6O2S/c28-14-15-6-4-11-27(15)21-25-12-17(19(29)24-13-18-22-9-5-10-23-18)20(26-21)30-16-7-2-1-3-8-16/h1-3,5,7-10,12,15,28H,4,6,11,13-14H2,(H,24,29)