3-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-methyl-pyrrolidine-1-carboxamide

Systemtic Name: 3-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-methyl-pyrrolidine-1-carboxamide Openeye Name: 3-[4-[6-[(5-cyanothiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-methyl-pyrrolidine-1-carboxamide CAS Name: 3-[4-[6-[(5-cyano-2-thiazolyl)amino]-4-pyrimidinyl]-1-piperazinyl]-N-methyl-1-pyrrolidinecarboxamide IUPAC Name: 3-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-methylpyrrolidine-1-carboxamide Traditional Name: 3-[4-[6-[(5-cyanothiazol-2-yl)amino]pyrimidin-4-yl]piperazino]-N-methyl-pyrrolidine-1-carboxamide Formula: C18H23N9OS MolecularWeight: 413.49992

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCC(C1)N2CCN(CC2)C3=CC(=NC=N3)NC4=NC=C(S4)C#N

Isomeric SMILES

CNC(=O)N1CCC(C1)N2CCN(CC2)C3=CC(=NC=N3)NC4=NC=C(S4)C#N

InChI

InChI=1S/C18H23N9OS/c1-20-18(28)27-3-2-13(11-27)25-4-6-26(7-5-25)16-8-15(22-12-23-16)24-17-21-10-14(9-19)29-17/h8,10,12-13H,2-7,11H2,1H3,(H,20,28)(H,21,22,23,24)