1-(2,6-dimethylphenyl)-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]thiourea Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC2=NC=NC3=CC(=C(C=C32)OC)OCCCN4CCOCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=NC=NC3=CC(=C(C=C32)OC)OCCCN4CCOCC4

InChI

InChI=1S/C25H31N5O3S/c1-17-6-4-7-18(2)23(17)28-25(34)29-24-19-14-21(31-3)22(15-20(19)26-16-27-24)33-11-5-8-30-9-12-32-13-10-30/h4,6-7,14-16H,5,8-13H2,1-3H3,(H2,26,27,28,29,34)