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

Systemtic Name: 1-(4-azanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-(4-chlorophenyl)thiourea Openeye Name: 1-(4-chlorophenyl)-3-(4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiourea CAS Name: 1-(4-chlorophenyl)-3-(4-imino-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)thiourea IUPAC Name: 1-(4-chlorophenyl)-3-(4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)thiourea Traditional Name: 1-(4-chlorophenyl)-3-(4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiourea Formula: C18H14ClN7S MolecularWeight: 395.86866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=N)N(C=N3)NC(=S)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=N)N(C=N3)NC(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H14ClN7S/c19-12-6-8-13(9-7-12)23-18(27)24-25-11-21-17-15(16(25)20)10-22-26(17)14-4-2-1-3-5-14/h1-11,20H,(H2,23,24,27)