1-(4-bromophenyl)-3-[4-oxidanylidene-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-5-yl]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[4-oxidanylidene-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-5-yl]thiourea Openeye Name: 1-(1-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-3-(4-bromophenyl)thiourea CAS Name: 1-(4-bromophenyl)-3-[4-oxo-1-(phenylmethyl)-5-pyrazolo[3,4-d]pyrimidinyl]thiourea IUPAC Name: 1-(1-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-3-(4-bromophenyl)thiourea Traditional Name: 1-(1-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-3-(4-bromophenyl)thiourea Formula: C19H15BrN6OS MolecularWeight: 455.331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=O)N(C=N3)NC(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=O)N(C=N3)NC(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H15BrN6OS/c20-14-6-8-15(9-7-14)23-19(28)24-26-12-21-17-16(18(26)27)10-22-25(17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,23,24,28)