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

Systemtic Name: (6S)-2-azanyl-3,6-dimethyl-6-[4-nitro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-3,6-dimethyl-6-[4-nitro-5-(5-prop-1-ynyl-3-pyridyl)-2-thienyl]-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-3,6-dimethyl-6-[4-nitro-5-(5-prop-1-ynyl-3-pyridinyl)-2-thiophenyl]-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-3,6-dimethyl-6-[4-nitro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-3,6-dimethyl-6-[4-nitro-5-(5-prop-1-ynyl-3-pyridyl)-2-thienyl]-5H-pyrimidin-4-one Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CN=C1)C2=C(C=C(S2)C3(CC(=O)N(C(=N3)N)C)C)[N+](=O)[O-]

Isomeric SMILES

CC#CC1=CC(=CN=C1)C2=C(C=C(S2)[C@@]3(CC(=O)N(C(=N3)N)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-4-5-11-6-12(10-20-9-11)16-13(23(25)26)7-14(27-16)18(2)8-15(24)22(3)17(19)21-18/h6-7,9-10H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1