4-[4-methyl-2-[(2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-5-yl)amino]phenyl]sulfanylphenol

Systemtic Name: 4-[4-methyl-2-[(2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-5-yl)amino]phenyl]sulfanylphenol Openeye Name: 4-[4-methyl-2-[[2-(1-piperidyl)pyrimido[4,5-d]pyrimidin-5-yl]amino]phenyl]sulfanylphenol CAS Name: 4-[[4-methyl-2-[[2-(1-piperidinyl)-5-pyrimido[4,5-d]pyrimidinyl]amino]phenyl]thio]phenol IUPAC Name: 4-[4-methyl-2-[(2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-5-yl)amino]phenyl]sulfanylphenol Traditional Name: 4-[[4-methyl-2-[(2-piperidinopyrimido[4,5-d]pyrimidin-5-yl)amino]phenyl]thio]phenol Formula: C24H24N6OS MolecularWeight: 444.55196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)O)NC3=NC=NC4=NC(=NC=C43)N5CCCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)O)NC3=NC=NC4=NC(=NC=C43)N5CCCCC5

InChI

InChI=1S/C24H24N6OS/c1-16-5-10-21(32-18-8-6-17(31)7-9-18)20(13-16)28-22-19-14-25-24(29-23(19)27-15-26-22)30-11-3-2-4-12-30/h5-10,13-15,31H,2-4,11-12H2,1H3,(H,25,26,27,28,29)