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

Systemtic Name: 1-(4-azanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiourea CAS Name: 1-(4-imino-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)thiourea Traditional Name: 1-benzyl-3-(4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiourea Formula: C19H17N7S MolecularWeight: 375.45018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NN2C=NC3=C(C2=N)C=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NN2C=NC3=C(C2=N)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H17N7S/c20-17-16-12-23-26(15-9-5-2-6-10-15)18(16)22-13-25(17)24-19(27)21-11-14-7-3-1-4-8-14/h1-10,12-13,20H,11H2,(H2,21,24,27)