6,7-dimethoxy-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine Openeye Name: 6,7-dimethoxy-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-(4-methylsulfonyl-1-piperazinyl)-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-amine Traditional Name: [2-(4-mesylpiperazino)-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C15H21N5O4S MolecularWeight: 367.42334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C)N)OC

InChI

InChI=1S/C15H21N5O4S/c1-23-12-8-10-11(9-13(12)24-2)17-15(18-14(10)16)19-4-6-20(7-5-19)25(3,21)22/h8-9H,4-7H2,1-3H3,(H2,16,17,18)