N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-N-(thian-4-yl)naphthalene-2-carboxamide

Systemtic Name: N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-N-(thian-4-yl)naphthalene-2-carboxamide Openeye Name: N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-N-tetrahydrothiopyran-4-yl-naphthalene-2-carboxamide CAS Name: N-[2-(3-pyrrolidinylamino)-4-pyrimidinyl]-N-(4-thianyl)-2-naphthalenecarboxamide IUPAC Name: N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-N-(thian-4-yl)naphthalene-2-carboxamide Traditional Name: N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-N-tetrahydrothiopyran-4-yl-2-naphthamide Formula: C24H27N5OS MolecularWeight: 433.56908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NC2=NC=CC(=N2)N(C3CCSCC3)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CNCC1NC2=NC=CC(=N2)N(C3CCSCC3)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H27N5OS/c30-23(19-6-5-17-3-1-2-4-18(17)15-19)29(21-9-13-31-14-10-21)22-8-12-26-24(28-22)27-20-7-11-25-16-20/h1-6,8,12,15,20-21,25H,7,9-11,13-14,16H2,(H,26,27,28)