6-azanyl-1-phenyl-pyrazolo[3,4-d][1,3]oxazin-4-one; 1-methyl-4-methylsulfonyl-benzene

Systemtic Name: 6-azanyl-1-phenyl-pyrazolo[3,4-d][1,3]oxazin-4-one; 1-methyl-4-methylsulfonyl-benzene Openeye Name: 6-amino-1-phenyl-pyrazolo[3,4-d][1,3]oxazin-4-one; 1-methyl-4-methylsulfonyl-benzene CAS Name: 6-amino-1-phenyl-4-pyrazolo[3,4-d][1,3]oxazinone; 1-methyl-4-methylsulfonylbenzene IUPAC Name: 6-amino-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one; 1-methyl-4-methylsulfonylbenzene Traditional Name: 6-amino-1-phenyl-pyrazolo[3,4-d][1,3]oxazin-4-one; 1-mesyl-4-methyl-benzene Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C.C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)OC(=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C.C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)OC(=N3)N

InChI

InChI=1S/C11H8N4O2.C8H10O2S/c12-11-14-9-8(10(16)17-11)6-13-15(9)7-4-2-1-3-5-7;1-7-3-5-8(6-4-7)11(2,9)10/h1-6H,(H2,12,14);3-6H,1-2H3