(6S)-2-azanyl-6-[1-(3-ethynylphenyl)pyrazol-4-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one

Systemtic Name: (6S)-2-azanyl-6-[1-(3-ethynylphenyl)pyrazol-4-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-6-[1-(3-ethynylphenyl)pyrazol-4-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-6-[1-(3-ethynylphenyl)-4-pyrazolyl]-3,5,6-trimethyl-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-6-[1-(3-ethynylphenyl)pyrazol-4-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-6-[1-(3-ethynylphenyl)pyrazol-4-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=NC1(C)C2=CN(N=C2)C3=CC=CC(=C3)C#C)N)C

Isomeric SMILES

CC1C(=O)N(C(=N[C@]1(C)C2=CN(N=C2)C3=CC=CC(=C3)C#C)N)C

InChI

InChI=1S/C18H19N5O/c1-5-13-7-6-8-15(9-13)23-11-14(10-20-23)18(3)12(2)16(24)22(4)17(19)21-18/h1,6-12H,2-4H3,(H2,19,21)/t12?,18-/m0/s1