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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)S(=O)(=O)C2CC2)C3=CC=CC=C3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC

Isomeric SMILES

CN(CC1(CCN(CC1)S(=O)(=O)C2CC2)C3=CC=CC=C3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC

InChI

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