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

Systemtic Name: 1-(4-azanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-methyl-thiourea Openeye Name: 1-(4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-methyl-thiourea CAS Name: 1-(4-imino-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-3-methylthiourea IUPAC Name: 1-(4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-3-methylthiourea Traditional Name: 1-(4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-methyl-thiourea Formula: C13H13N7S MolecularWeight: 299.35422

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN1C=NC2=C(C1=N)C=NN2C3=CC=CC=C3

Isomeric SMILES

CNC(=S)NN1C=NC2=C(C1=N)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C13H13N7S/c1-15-13(21)18-19-8-16-12-10(11(19)14)7-17-20(12)9-5-3-2-4-6-9/h2-8,14H,1H3,(H2,15,18,21)