1-(4-azanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-(2,4-dichlorophenyl)thiourea

Systemtic Name: 1-(4-azanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-(2,4-dichlorophenyl)thiourea Openeye Name: 1-(2,4-dichlorophenyl)-3-(4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiourea CAS Name: 1-(2,4-dichlorophenyl)-3-(4-imino-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)thiourea IUPAC Name: 1-(2,4-dichlorophenyl)-3-(4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)thiourea Traditional Name: 1-(2,4-dichlorophenyl)-3-(4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiourea Formula: C18H13Cl2N7S MolecularWeight: 430.31372

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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=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N7S/c19-11-6-7-15(14(20)8-11)24-18(28)25-26-10-22-17-13(16(26)21)9-23-27(17)12-4-2-1-3-5-12/h1-10,21H,(H2,24,25,28)