1-[6-(cyclohex-3-en-1-ylmethoxy)-7-methoxy-quinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea

Systemtic Name: 1-[6-(cyclohex-3-en-1-ylmethoxy)-7-methoxy-quinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea Openeye Name: 1-[6-(cyclohex-3-en-1-ylmethoxy)-7-methoxy-quinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[6-(1-cyclohex-3-enylmethoxy)-7-methoxy-4-quinazolinyl]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-[6-(cyclohex-3-en-1-ylmethoxy)-7-methoxyquinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-[6-(cyclohex-3-en-1-ylmethoxy)-7-methoxy-quinazolin-4-yl]-3-(2,6-dimethylphenyl)thiourea Formula: C25H28N4O2S MolecularWeight: 448.58042

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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)OCC4CCC=CC4)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=NC=NC3=CC(=C(C=C32)OCC4CCC=CC4)OC

InChI

InChI=1S/C25H28N4O2S/c1-16-8-7-9-17(2)23(16)28-25(32)29-24-19-12-22(31-14-18-10-5-4-6-11-18)21(30-3)13-20(19)26-15-27-24/h4-5,7-9,12-13,15,18H,6,10-11,14H2,1-3H3,(H2,26,27,28,29,32)