3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Traditional Name: 2-besyl-3-[2-(4-tert-butylphenoxy)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylonitrile Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H25N3O4S/c1-19-9-8-16-31-25(19)30-26(35-21-14-12-20(13-15-21)28(2,3)4)24(27(31)32)17-23(18-29)36(33,34)22-10-6-5-7-11-22/h5-17H,1-4H3