5-ethyl-7-(2-methylpropyl)-3-phenylazanyl-2-[(4-pyrimidin-2-ylphenyl)methyl]-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-6-one

Systemtic Name: 5-ethyl-7-(2-methylpropyl)-3-phenylazanyl-2-[(4-pyrimidin-2-ylphenyl)methyl]-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-6-one Openeye Name: 3-anilino-5-ethyl-7-isobutyl-2-[(4-pyrimidin-2-ylphenyl)methyl]-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one CAS Name: 3-anilino-5-ethyl-7-(2-methylpropyl)-2-[[4-(2-pyrimidinyl)phenyl]methyl]-4-sulfanylidene-6-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-anilino-5-ethyl-7-(2-methylpropyl)-2-[(4-pyrimidin-2-ylphenyl)methyl]-4-sulfanylidenepyrazolo[3,4-d]pyrimidin-6-one Traditional Name: 3-anilino-5-ethyl-7-isobutyl-2-[4-(2-pyrimidyl)benzyl]-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one Formula: C28H29N7OS MolecularWeight: 511.64116

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)C2=C(N(N=C2N(C1=O)CC(C)C)CC3=CC=C(C=C3)C4=NC=CC=N4)NC5=CC=CC=C5

Isomeric SMILES

CCN1C(=S)C2=C(N(N=C2N(C1=O)CC(C)C)CC3=CC=C(C=C3)C4=NC=CC=N4)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N7OS/c1-4-33-27(37)23-25(31-22-9-6-5-7-10-22)35(32-26(23)34(28(33)36)17-19(2)3)18-20-11-13-21(14-12-20)24-29-15-8-16-30-24/h5-16,19,31H,4,17-18H2,1-3H3