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3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methyl-phenyl]-2-methyl-quinazolin-4-one hydrate

3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methyl-phenyl]-2-methyl-quinazolin-4-one hydrate

Systemtic Name:3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methyl-phenyl]-2-methyl-quinazolin-4-one hydrate
Openeye Name:3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methyl-phenyl]-2-methyl-quinazolin-4-one hydrate
CAS Name:3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methylphenyl]-2-methyl-4-quinazolinone hydrate
IUPAC Name:3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methylphenyl]-2-methylquinazolin-4-one hydrate
Traditional Name:3-[5-[(homoveratrylamino)methyl]-2-methyl-phenyl]-2-methyl-quinazolin-4-one hydrate
Formula: C27H31N3O4
MolecularWeight: 461.55274
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNCCC2=CC(=C(C=C2)OC)OC)N3C(=NC4=CC=CC=C4C3=O)C.O


Isomeric SMILES

CC1=C(C=C(C=C1)CNCCC2=CC(=C(C=C2)OC)OC)N3C(=NC4=CC=CC=C4C3=O)C.O


InChI

InChI=1S/C27H29N3O3.H2O/c1-18-9-10-21(17-28-14-13-20-11-12-25(32-3)26(16-20)33-4)15-24(18)30-19(2)29-23-8-6-5-7-22(23)27(30)31;/h5-12,15-16,28H,13-14,17H2,1-4H3;1H2


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