(5R,6S)-2-azanyl-5-fluoranyl-3,6-dimethyl-6-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one

Systemtic Name: (5R,6S)-2-azanyl-5-fluoranyl-3,6-dimethyl-6-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one Openeye Name: (5R,6S)-2-amino-5-fluoro-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridyl)-2-thienyl]-5H-pyrimidin-4-one CAS Name: (5R,6S)-2-amino-5-fluoro-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)-2-thiophenyl]-5H-pyrimidin-4-one IUPAC Name: (5R,6S)-2-amino-5-fluoro-3,6-dimethyl-6-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one Traditional Name: (5R,6S)-2-amino-5-fluoro-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridyl)-2-thienyl]-5H-pyrimidin-4-one Formula: C18H17FN4OS MolecularWeight: 356.417183

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CN=C1)C2=CSC(=C2)C3(C(C(=O)N(C(=N3)N)C)F)C

Isomeric SMILES

CC#CC1=CC(=CN=C1)C2=CSC(=C2)[C@@]3([C@H](C(=O)N(C(=N3)N)C)F)C

InChI

InChI=1S/C18H17FN4OS/c1-4-5-11-6-12(9-21-8-11)13-7-14(25-10-13)18(2)15(19)16(24)23(3)17(20)22-18/h6-10,15H,1-3H3,(H2,20,22)/t15-,18+/m0/s1