[(2S)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [(2S)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-yl-methanone Openeye Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(1-piperidyl)methanone CAS Name: [(2S)-1-(4-anilino-2-pyrimidinyl)-2-pyrrolidinyl]-(1-piperidinyl)methanone IUPAC Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-piperidin-1-ylmethanone Traditional Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-piperidino-methanone Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O/c26-19(24-13-5-2-6-14-24)17-10-7-15-25(17)20-21-12-11-18(23-20)22-16-8-3-1-4-9-16/h1,3-4,8-9,11-12,17H,2,5-7,10,13-15H2,(H,21,22,23)/t17-/m0/s1