N-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]naphthalene-2-sulfonamide Openeye Name: N-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]naphthalene-2-sulfonamide CAS Name: N-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]naphthalene-2-sulfonamide Traditional Name: N-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]naphthalene-2-sulfonamide Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H23N5O3S/c1-16(2)31-14-22(23-25(27)28-15-29-26(23)31)24(32)19-8-5-9-20(12-19)30-35(33,34)21-11-10-17-6-3-4-7-18(17)13-21/h3-16,30H,1-2H3,(H2,27,28,29)