[1-(2-azanyl-6-phenylazanyl-pyrimidin-4-yl)piperidin-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

Systemtic Name: [1-(2-azanyl-6-phenylazanyl-pyrimidin-4-yl)piperidin-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone Openeye Name: [1-(2-amino-6-anilino-pyrimidin-4-yl)-4-piperidyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone CAS Name: [1-(2-amino-6-anilino-4-pyrimidinyl)-4-piperidinyl]-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]methanone IUPAC Name: [1-(2-amino-6-anilinopyrimidin-4-yl)piperidin-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone Traditional Name: [1-(2-amino-6-anilino-pyrimidin-4-yl)-4-piperidyl]-[(2S)-2-methylolpyrrolidino]methanone Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)C3=CC(=NC(=N3)N)NC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2CCN(CC2)C3=CC(=NC(=N3)N)NC4=CC=CC=C4)CO

InChI

InChI=1S/C21H28N6O2/c22-21-24-18(23-16-5-2-1-3-6-16)13-19(25-21)26-11-8-15(9-12-26)20(29)27-10-4-7-17(27)14-28/h1-3,5-6,13,15,17,28H,4,7-12,14H2,(H3,22,23,24,25)/t17-/m0/s1