1-[4-azanylidene-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]-3-phenyl-thiourea

Systemtic Name: 1-[4-azanylidene-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]-3-phenyl-thiourea Openeye Name: 1-[4-imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]-3-phenyl-thiourea CAS Name: 1-[4-imino-5-phenyl-7-(4-sulfamoylphenyl)-3-pyrrolo[2,3-d]pyrimidinyl]-3-phenylthiourea IUPAC Name: 1-[4-imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]-3-phenylthiourea Traditional Name: 1-[4-imino-5-phenyl-7-(4-sulfamoylphenyl)pyrrolo[2,3-d]pyrimidin-3-yl]-3-phenyl-thiourea Formula: C25H21N7O2S2 MolecularWeight: 515.60994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=C2C(=N)N(C=N3)NC(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=C2C(=N)N(C=N3)NC(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C25H21N7O2S2/c26-23-22-21(17-7-3-1-4-8-17)15-31(19-11-13-20(14-12-19)36(27,33)34)24(22)28-16-32(23)30-25(35)29-18-9-5-2-6-10-18/h1-16,26H,(H2,27,33,34)(H2,29,30,35)