1-[5-phenyl-7-(phenylcarbonyl)-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-4-yl]thiourea

Systemtic Name: 1-[5-phenyl-7-(phenylcarbonyl)-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-4-yl]thiourea Openeye Name: (7-benzoyl-5-phenyl-2-thioxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea CAS Name: (7-benzoyl-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea IUPAC Name: (7-benzoyl-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea Traditional Name: (7-benzoyl-5-phenyl-2-thioxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea Formula: C20H15N5OS2 MolecularWeight: 405.496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=NC(=S)NC(=C23)NC(=S)N)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=NC(=S)NC(=C23)NC(=S)N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N5OS2/c21-19(27)22-16-15-14(12-7-3-1-4-8-12)11-25(17(15)24-20(28)23-16)18(26)13-9-5-2-6-10-13/h1-11H,(H4,21,22,23,24,27,28)