2-[[2-azanyl-4-(furan-2-yl)-6-phenethylsulfanyl-pyrimidin-5-yl]amino]-4-(furan-2-yl)-6-(3-phenylpropylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-[[2-azanyl-4-(furan-2-yl)-6-phenethylsulfanyl-pyrimidin-5-yl]amino]-4-(furan-2-yl)-6-(3-phenylpropylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-[[2-amino-4-(2-furyl)-6-phenethylsulfanyl-pyrimidin-5-yl]amino]-4-(2-furyl)-6-(3-phenylpropylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 2-[[2-amino-4-(2-furanyl)-6-(phenethylthio)-5-pyrimidinyl]amino]-4-(2-furanyl)-6-(3-phenylpropylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-[[2-amino-4-(furan-2-yl)-6-phenethylsulfanylpyrimidin-5-yl]amino]-4-(furan-2-yl)-6-(3-phenylpropylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-[[2-amino-4-(2-furyl)-6-(phenethylthio)pyrimidin-5-yl]amino]-4-(2-furyl)-6-(3-phenylpropylthio)pyrimidine-5-carbonitrile Formula: C34H29N7O2S2 MolecularWeight: 631.76976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NC(=NC(=C2C#N)C3=CC=CO3)NC4=C(N=C(N=C4SCCC5=CC=CC=C5)N)C6=CC=CO6

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NC(=NC(=C2C#N)C3=CC=CO3)NC4=C(N=C(N=C4SCCC5=CC=CC=C5)N)C6=CC=CO6

InChI

InChI=1S/C34H29N7O2S2/c35-22-25-28(26-15-7-18-42-26)38-34(41-31(25)44-20-9-14-23-10-3-1-4-11-23)39-30-29(27-16-8-19-43-27)37-33(36)40-32(30)45-21-17-24-12-5-2-6-13-24/h1-8,10-13,15-16,18-19H,9,14,17,20-21H2,(H2,36,37,40)(H,38,39,41)