(2-azanyl-6-propan-2-yl-pyrimidin-4-yl)-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone

Systemtic Name: (2-azanyl-6-propan-2-yl-pyrimidin-4-yl)-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone Openeye Name: (2-amino-6-isopropyl-pyrimidin-4-yl)-[(3S)-3-(4-isopropylanilino)-1-piperidyl]methanone CAS Name: (2-amino-6-propan-2-yl-4-pyrimidinyl)-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]methanone IUPAC Name: (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone Traditional Name: (2-amino-6-isopropyl-pyrimidin-4-yl)-[(3S)-3-cumidinopiperidino]methanone Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=CC(=NC(=N3)N)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=CC(=NC(=N3)N)C(C)C

InChI

InChI=1S/C22H31N5O/c1-14(2)16-7-9-17(10-8-16)24-18-6-5-11-27(13-18)21(28)20-12-19(15(3)4)25-22(23)26-20/h7-10,12,14-15,18,24H,5-6,11,13H2,1-4H3,(H2,23,25,26)/t18-/m0/s1