6-azanyl-2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-6-amino-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-6-amino-1H-pyrimidin-4-one Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C15H18N4O2S/c1-4-5-19-9(2)6-11(10(19)3)12(20)8-22-15-17-13(16)7-14(21)18-15/h4,6-7H,1,5,8H2,2-3H3,(H3,16,17,18,21)