5-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazin-6-one

Systemtic Name: 5-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazin-6-one Openeye Name: 5-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-3-(2-naphthyl)-4,5-dihydrooxazin-6-one CAS Name: 5-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-3-(2-naphthalenyl)-4,5-dihydrooxazin-6-one IUPAC Name: 5-[4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-3-naphthalen-2-yl-4,5-dihydrooxazin-6-one Traditional Name: 5-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-3-(2-naphthyl)-4,5-dihydrooxazin-6-one Formula: C33H25N5O3S MolecularWeight: 571.6483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)SC4CC(=NOC4=O)C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7

Isomeric SMILES

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)SC4CC(=NOC4=O)C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7

InChI

InChI=1S/C33H25N5O3S/c1-20-29-30(22-14-16-26(40-2)17-15-22)34-33(35-31(29)38(36-20)25-10-4-3-5-11-25)42-28-19-27(37-41-32(28)39)24-13-12-21-8-6-7-9-23(21)18-24/h3-18,28H,19H2,1-2H3