2-[[3-[(2R)-2-aminocarbonylpyrrolidin-1-yl]phenyl]amino]-4-(ethynylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[[3-[(2R)-2-aminocarbonylpyrrolidin-1-yl]phenyl]amino]-4-(ethynylamino)pyrimidine-5-carboxamide Openeye Name: 2-[3-[(2R)-2-carbamoylpyrrolidin-1-yl]anilino]-4-(ethynylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-[(2R)-2-carbamoyl-1-pyrrolidinyl]anilino]-4-(ethynylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-[(2R)-2-carbamoylpyrrolidin-1-yl]anilino]-4-(ethynylamino)pyrimidine-5-carboxamide Traditional Name: 2-[3-[(2R)-2-carbamoylpyrrolidino]anilino]-4-(ethynylamino)pyrimidine-5-carboxamide Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

C#CNC1=NC(=NC=C1C(=O)N)NC2=CC=CC(=C2)N3CCCC3C(=O)N

Isomeric SMILES

C#CNC1=NC(=NC=C1C(=O)N)NC2=CC=CC(=C2)N3CCC[C@@H]3C(=O)N

InChI

InChI=1S/C18H19N7O2/c1-2-21-17-13(15(19)26)10-22-18(24-17)23-11-5-3-6-12(9-11)25-8-4-7-14(25)16(20)27/h1,3,5-6,9-10,14H,4,7-8H2,(H2,19,26)(H2,20,27)(H2,21,22,23,24)/t14-/m1/s1