N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-pyridin-4-yl-quinazolin-4-amine

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-pyridin-4-yl-quinazolin-4-amine Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(4-pyridyl)quinazolin-4-amine CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-pyridin-4-yl-4-quinazolinamine IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyridin-4-ylquinazolin-4-amine Traditional Name: (4-methoxy-3-piperidinosulfonyl-phenyl)-[2-(4-pyridyl)quinazolin-4-yl]amine Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H25N5O3S/c1-33-22-10-9-19(17-23(22)34(31,32)30-15-5-2-6-16-30)27-25-20-7-3-4-8-21(20)28-24(29-25)18-11-13-26-14-12-18/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,27,28,29)