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

Systemtic Name: 6,7-dimethoxy-N2-methyl-N2-[(4-phenyl-1-propan-2-ylsulfonyl-piperidin-4-yl)methyl]quinazoline-2,4-diamine Openeye Name: N2-[(1-isopropylsulfonyl-4-phenyl-4-piperidyl)methyl]-6,7-dimethoxy-N2-methyl-quinazoline-2,4-diamine CAS Name: 6,7-dimethoxy-N2-methyl-N2-[(4-phenyl-1-propan-2-ylsulfonyl-4-piperidinyl)methyl]quinazoline-2,4-diamine IUPAC Name: 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenyl-1-propan-2-ylsulfonylpiperidin-4-yl)methyl]quinazoline-2,4-diamine Traditional Name: (4-amino-6,7-dimethoxy-quinazolin-2-yl)-[(1-isopropylsulfonyl-4-phenyl-4-piperidyl)methyl]-methyl-amine Formula: C26H35N5O4S MolecularWeight: 513.6522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCC(CC1)(CN(C)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)N1CCC(CC1)(CN(C)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H35N5O4S/c1-18(2)36(32,33)31-13-11-26(12-14-31,19-9-7-6-8-10-19)17-30(3)25-28-21-16-23(35-5)22(34-4)15-20(21)24(27)29-25/h6-10,15-16,18H,11-14,17H2,1-5H3,(H2,27,28,29)