2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-4-quinazolinamine IUPAC Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]quinazolin-4-yl]amine Formula: C20H15N7S MolecularWeight: 385.445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C20H15N7S/c21-18-14-8-4-5-9-16(14)25-17(26-18)11-28-20-15-10-24-27(19(15)22-12-23-20)13-6-2-1-3-7-13/h1-10,12H,11H2,(H2,21,25,26)