6-(3-cyclopentyloxy-4-methoxy-phenyl)-2-methylsulfonyl-7,8-dihydro-5H-quinazoline-6-carbonitrile

Systemtic Name: 6-(3-cyclopentyloxy-4-methoxy-phenyl)-2-methylsulfonyl-7,8-dihydro-5H-quinazoline-6-carbonitrile Openeye Name: 6-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-methylsulfonyl-7,8-dihydro-5H-quinazoline-6-carbonitrile CAS Name: 6-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylsulfonyl-7,8-dihydro-5H-quinazoline-6-carbonitrile IUPAC Name: 6-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylsulfonyl-7,8-dihydro-5H-quinazoline-6-carbonitrile Traditional Name: 6-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-mesyl-7,8-dihydro-5H-quinazoline-6-carbonitrile Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC3=NC(=NC=C3C2)S(=O)(=O)C)C#N)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC3=NC(=NC=C3C2)S(=O)(=O)C)C#N)OC4CCCC4

InChI

InChI=1S/C22H25N3O4S/c1-28-19-8-7-16(11-20(19)29-17-5-3-4-6-17)22(14-23)10-9-18-15(12-22)13-24-21(25-18)30(2,26)27/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3