N-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylphenyl]-4-phenyl-phthalazin-1-amine

Systemtic Name: N-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylphenyl]-4-phenyl-phthalazin-1-amine Openeye Name: N-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylphenyl]-4-phenyl-phthalazin-1-amine CAS Name: N-[4-[(2-cyclopropyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]phenyl]-4-phenyl-1-phthalazinamine IUPAC Name: N-[4-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylphenyl]-4-phenylphthalazin-1-amine Traditional Name: [4-[(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)thio]phenyl]-(4-phenylphthalazin-1-yl)amine Formula: C29H22N6S MolecularWeight: 486.59018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN3C(=CC=NC3=C2)SC4=CC=C(C=C4)NC5=NN=C(C6=CC=CC=C65)C7=CC=CC=C7

Isomeric SMILES

C1CC1C2=NN3C(=CC=NC3=C2)SC4=CC=C(C=C4)NC5=NN=C(C6=CC=CC=C65)C7=CC=CC=C7

InChI

InChI=1S/C29H22N6S/c1-2-6-20(7-3-1)28-23-8-4-5-9-24(23)29(33-32-28)31-21-12-14-22(15-13-21)36-27-16-17-30-26-18-25(19-10-11-19)34-35(26)27/h1-9,12-19H,10-11H2,(H,31,33)