1-(4-azanylidene-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-phenyl-thiourea

Systemtic Name: 1-(4-azanylidene-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-phenyl-thiourea Openeye Name: 1-(4-imino-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-phenyl-thiourea CAS Name: 1-[4-imino-3-(methylthio)-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl]-3-phenylthiourea IUPAC Name: 1-(4-imino-3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-3-phenylthiourea Traditional Name: 1-[4-imino-3-(methylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl]-3-phenyl-thiourea Formula: C19H17N7S2 MolecularWeight: 407.51518

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C2=C1C(=N)N(C=N2)NC(=S)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C2=C1C(=N)N(C=N2)NC(=S)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N7S2/c1-28-18-15-16(20)25(24-19(27)22-13-8-4-2-5-9-13)12-21-17(15)26(23-18)14-10-6-3-7-11-14/h2-12,20H,1H3,(H2,22,24,27)