2-[(4-ethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-phenethyl-quinazolin-4-imine

Systemtic Name: 2-[(4-ethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-phenethyl-quinazolin-4-imine Openeye Name: 2-[(4-ethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-phenethyl-quinazolin-4-imine CAS Name: 2-[(4-ethylphenyl)methylthio]-6,7-dimethoxy-3-phenethyl-4-quinazolinimine IUPAC Name: 2-[(4-ethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-phenethylquinazolin-4-imine Traditional Name: [2-[(4-ethylbenzyl)thio]-6,7-dimethoxy-3-phenethyl-quinazolin-4-ylidene]amine Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3C(=N)N2CCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3C(=N)N2CCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H29N3O2S/c1-4-19-10-12-21(13-11-19)18-33-27-29-23-17-25(32-3)24(31-2)16-22(23)26(28)30(27)15-14-20-8-6-5-7-9-20/h5-13,16-17,28H,4,14-15,18H2,1-3H3