5-methoxy-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 5-methoxy-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine Openeye Name: 5-methoxy-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine CAS Name: 5-methoxy-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyrimidinyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 5-methoxy-3-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-[2-(4-mesyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C2C(=C1)C(=CN2)C3=NC(=NC=C3)N4CCCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CN=C2C(=C1)C(=CN2)C3=NC(=NC=C3)N4CCCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C18H22N6O3S/c1-27-13-10-14-15(12-21-17(14)20-11-13)16-4-5-19-18(22-16)23-6-3-7-24(9-8-23)28(2,25)26/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,21)