(6S)-2-azanyl-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one

Systemtic Name: (6S)-2-azanyl-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)isoxazol-3-yl]-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)-3-isoxazolyl]-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)isoxazol-3-yl]-5H-pyrimidin-4-one Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CC=C1)C2=CC(=NO2)C3(CC(=O)N(C(=N3)N)C)C

Isomeric SMILES

CC#CC1=CC(=CC=C1)C2=CC(=NO2)[C@@]3(CC(=O)N(C(=N3)N)C)C

InChI

InChI=1S/C18H18N4O2/c1-4-6-12-7-5-8-13(9-12)14-10-15(21-24-14)18(2)11-16(23)22(3)17(19)20-18/h5,7-10H,11H2,1-3H3,(H2,19,20)/t18-/m0/s1