5-[(1-cyclopropylsulfonyl-4-phenyl-piperidin-4-yl)methyl]-6,7-dimethoxy-N2-methyl-quinazoline-2,4-diamine

Systemtic Name: 5-[(1-cyclopropylsulfonyl-4-phenyl-piperidin-4-yl)methyl]-6,7-dimethoxy-N2-methyl-quinazoline-2,4-diamine Openeye Name: 5-[(1-cyclopropylsulfonyl-4-phenyl-4-piperidyl)methyl]-6,7-dimethoxy-N2-methyl-quinazoline-2,4-diamine CAS Name: 5-[(1-cyclopropylsulfonyl-4-phenyl-4-piperidinyl)methyl]-6,7-dimethoxy-N2-methylquinazoline-2,4-diamine IUPAC Name: 5-[(1-cyclopropylsulfonyl-4-phenylpiperidin-4-yl)methyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine Traditional Name: [4-amino-5-[(1-cyclopropylsulfonyl-4-phenyl-4-piperidyl)methyl]-6,7-dimethoxy-quinazolin-2-yl]-methyl-amine Formula: C26H33N5O4S MolecularWeight: 511.63632

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=CC(=C(C(=C2C(=N1)N)CC3(CCN(CC3)S(=O)(=O)C4CC4)C5=CC=CC=C5)OC)OC

Isomeric SMILES

CNC1=NC2=CC(=C(C(=C2C(=N1)N)CC3(CCN(CC3)S(=O)(=O)C4CC4)C5=CC=CC=C5)OC)OC

InChI

InChI=1S/C26H33N5O4S/c1-28-25-29-20-15-21(34-2)23(35-3)19(22(20)24(27)30-25)16-26(17-7-5-4-6-8-17)11-13-31(14-12-26)36(32,33)18-9-10-18/h4-8,15,18H,9-14,16H2,1-3H3,(H3,27,28,29,30)