3-(3-azanylpropyl)-6-chloranyl-2-[5-(2,4-dimethoxyphenyl)thiophen-2-yl]quinazolin-4-one

Systemtic Name: 3-(3-azanylpropyl)-6-chloranyl-2-[5-(2,4-dimethoxyphenyl)thiophen-2-yl]quinazolin-4-one Openeye Name: 3-(3-aminopropyl)-6-chloro-2-[5-(2,4-dimethoxyphenyl)-2-thienyl]quinazolin-4-one CAS Name: 3-(3-aminopropyl)-6-chloro-2-[5-(2,4-dimethoxyphenyl)-2-thiophenyl]-4-quinazolinone IUPAC Name: 3-(3-aminopropyl)-6-chloro-2-[5-(2,4-dimethoxyphenyl)thiophen-2-yl]quinazolin-4-one Traditional Name: 3-(3-aminopropyl)-6-chloro-2-[5-(2,4-dimethoxyphenyl)-2-thienyl]quinazolin-4-one Formula: C23H22ClN3O3S MolecularWeight: 455.95708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(S2)C3=NC4=C(C=C(C=C4)Cl)C(=O)N3CCCN)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(S2)C3=NC4=C(C=C(C=C4)Cl)C(=O)N3CCCN)OC

InChI

InChI=1S/C23H22ClN3O3S/c1-29-15-5-6-16(19(13-15)30-2)20-8-9-21(31-20)22-26-18-7-4-14(24)12-17(18)23(28)27(22)11-3-10-25/h4-9,12-13H,3,10-11,25H2,1-2H3