(2S)-N-(4-butylphenyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-butylphenyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-butylphenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(4-butylphenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-butylphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-butylphenyl)pyrrolidine-2-carboxamide Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O/c1-2-3-8-19-12-14-21(15-13-19)28-24(31)22-11-7-18-30(22)25-26-17-16-23(29-25)27-20-9-5-4-6-10-20/h4-6,9-10,12-17,22H,2-3,7-8,11,18H2,1H3,(H,28,31)(H,26,27,29)/t22-/m0/s1