6-azanyl-5-[(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-[(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-5-[(2-allylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-6-amino-1H-pyrimidin-4-one CAS Name: 6-amino-5-[[6-amino-4-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]-(4-nitrophenyl)methyl]-2-(prop-2-enylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[(6-amino-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-5-[[2-(allylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-(4-nitrophenyl)methyl]-6-amino-1H-pyrimidin-4-one Formula: C21H21N7O4S2 MolecularWeight: 499.56594

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C(=C(N1)N)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(NC(=NC3=O)SCC=C)N

Isomeric SMILES

C=CCSC1=NC(=O)C(=C(N1)N)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(NC(=NC3=O)SCC=C)N

InChI

InChI=1S/C21H21N7O4S2/c1-3-9-33-20-24-16(22)14(18(29)26-20)13(11-5-7-12(8-6-11)28(31)32)15-17(23)25-21(27-19(15)30)34-10-4-2/h3-8,13H,1-2,9-10H2,(H3,22,24,26,29)(H3,23,25,27,30)