1-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thiourea

Systemtic Name: 1-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thiourea Openeye Name: [4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thiourea CAS Name: [4-(4-methoxyphenyl)-3-methyl-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thiourea IUPAC Name: [4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]thiourea Traditional Name: [4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thiourea Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)NC(=S)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)NC(=S)N)C4=CC=CC=C4

InChI

InChI=1S/C20H18N6OS/c1-12-16-17(13-8-10-15(27-2)11-9-13)22-20(24-19(21)28)23-18(16)26(25-12)14-6-4-3-5-7-14/h3-11H,1-2H3,(H3,21,22,23,24,28)