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

Systemtic Name: 1-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-ium-5-yl)-3-phenyl-thiourea Openeye Name: 1-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-ium-5-yl)-3-phenyl-thiourea CAS Name: 1-(4-amino-1-phenyl-5-pyrazolo[3,4-d]pyrimidin-5-iumyl)-3-phenylthiourea IUPAC Name: 1-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-5-ium-5-yl)-3-phenylthiourea Traditional Name: 1-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-ium-5-yl)-3-phenyl-thiourea Formula: C18H16N7S+ MolecularWeight: 362.43154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)N[N+]2=C(C3=C(N=C2)N(N=C3)C4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N[N+]2=C(C3=C(N=C2)N(N=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C18H15N7S/c19-16-15-11-21-25(14-9-5-2-6-10-14)17(15)20-12-24(16)23-18(26)22-13-7-3-1-4-8-13/h1-12,19H,(H2,22,23,26)/p+1