1-[3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]thiourea

Systemtic Name: 1-[3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]thiourea Openeye Name: [3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]thiourea CAS Name: [3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]thiourea IUPAC Name: [3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]thiourea Traditional Name: [3-(4-keto-1,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]thiourea Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=S)N)C2=NC(=O)C3=C(NN(C3=N2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=S)N)C2=NC(=O)C3=C(NN(C3=N2)C)C

InChI

InChI=1S/C17H20N6O2S/c1-4-7-25-12-6-5-10(19-17(18)26)8-11(12)14-20-15-13(16(24)21-14)9(2)22-23(15)3/h5-6,8,22H,4,7H2,1-3H3,(H3,18,19,26)