(6S)-2-azanyl-3,6-dimethyl-6-[2-methyl-5-(5-prop-1-ynylpyridin-3-yl)pyrazol-3-yl]-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one

Systemtic Name: (6S)-2-azanyl-3,6-dimethyl-6-[2-methyl-5-(5-prop-1-ynylpyridin-3-yl)pyrazol-3-yl]-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-5-(4-isopropylphenyl)-3,6-dimethyl-6-[2-methyl-5-(5-prop-1-ynyl-3-pyridyl)pyrazol-3-yl]-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-3,6-dimethyl-6-[2-methyl-5-(5-prop-1-ynyl-3-pyridinyl)-3-pyrazolyl]-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-3,6-dimethyl-6-[2-methyl-5-(5-prop-1-ynylpyridin-3-yl)pyrazol-3-yl]-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-3,6-dimethyl-6-[2-methyl-5-(5-prop-1-ynyl-3-pyridyl)pyrazol-3-yl]-5-p-cumenyl-5H-pyrimidin-4-one Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CN=C1)C2=NN(C(=C2)C3(C(C(=O)N(C(=N3)N)C)C4=CC=C(C=C4)C(C)C)C)C

Isomeric SMILES

CC#CC1=CC(=CN=C1)C2=NN(C(=C2)[C@@]3(C(C(=O)N(C(=N3)N)C)C4=CC=C(C=C4)C(C)C)C)C

InChI

InChI=1S/C27H30N6O/c1-7-8-18-13-21(16-29-15-18)22-14-23(33(6)31-22)27(4)24(25(34)32(5)26(28)30-27)20-11-9-19(10-12-20)17(2)3/h9-17,24H,1-6H3,(H2,28,30)/t24?,27-/m1/s1