N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine

Systemtic Name: N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine Openeye Name: N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine CAS Name: N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)-4-quinazolinamine IUPAC Name: N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine Traditional Name: 1H-indol-5-yl-[7-(3-mesylpropoxy)-6-methoxy-quinazolin-4-yl]amine Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)NC=C4)OCCCS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)NC=C4)OCCCS(=O)(=O)C

InChI

InChI=1S/C21H22N4O4S/c1-28-19-11-16-18(12-20(19)29-8-3-9-30(2,26)27)23-13-24-21(16)25-15-4-5-17-14(10-15)6-7-22-17/h4-7,10-13,22H,3,8-9H2,1-2H3,(H,23,24,25)