3-[(E)-(4-butoxyphenyl)methylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(E)-(4-butoxyphenyl)methyleneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(E)-(4-butoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(E)-(4-butoxybenzylidene)amino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/N2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-2-3-13-28-19-11-9-17(10-12-19)14-25-26-16-24-22-21(23(26)27)20(15-29-22)18-7-5-4-6-8-18/h4-12,14-16H,2-3,13H2,1H3/b25-14+