6-azanyl-5-[(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]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)-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-5-[(2-allylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-6-amino-1H-pyrimidin-4-one CAS Name: 6-amino-5-[[6-amino-4-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]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)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-5-[[2-(allylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-6-amino-1H-pyrimidin-4-one Formula: C30H27ClN8O2S2 MolecularWeight: 631.17078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C(=C(N1)N)C(C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=C(NC(=NC5=O)SCC=C)N

Isomeric SMILES

C=CCSC1=NC(=O)C(=C(N1)N)C(C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=C(NC(=NC5=O)SCC=C)N

InChI

InChI=1S/C30H27ClN8O2S2/c1-3-14-42-29-34-25(32)22(27(40)36-29)21(23-26(33)35-30(37-28(23)41)43-15-4-2)20-16-39(19-8-6-5-7-9-19)38-24(20)17-10-12-18(31)13-11-17/h3-13,16,21H,1-2,14-15H2,(H3,32,34,36,40)(H3,33,35,37,41)