1-[[cyano-(9-oxidanylidene-1H-pyrazolo[5,1-b]quinazolin-3-yl)methyl]amino]thiourea

Systemtic Name: 1-[[cyano-(9-oxidanylidene-1H-pyrazolo[5,1-b]quinazolin-3-yl)methyl]amino]thiourea Openeye Name: [[cyano-(9-oxo-1H-pyrazolo[5,1-b]quinazolin-3-yl)methyl]amino]thiourea CAS Name: [[cyano-(9-oxo-1H-pyrazolo[5,1-b]quinazolin-3-yl)methyl]amino]thiourea IUPAC Name: [[cyano-(9-oxo-1H-pyrazolo[5,1-b]quinazolin-3-yl)methyl]amino]thiourea Traditional Name: [[cyano-(9-keto-1H-pyrazolo[5,1-b]quinazolin-3-yl)methyl]amino]thiourea Formula: C13H11N7OS MolecularWeight: 313.33774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N3C(=N2)C(=CN3)C(C#N)NNC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N3C(=N2)C(=CN3)C(C#N)NNC(=S)N

InChI

InChI=1S/C13H11N7OS/c14-5-10(18-19-13(15)22)8-6-16-20-11(8)17-9-4-2-1-3-7(9)12(20)21/h1-4,6,10,16,18H,(H3,15,19,22)