2-[4-[2,4-bis(oxidanylidene)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]phenoxy]-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-[4-[2,4-bis(oxidanylidene)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]phenoxy]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2,4-diketo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=C2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=C2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C28H29N5O4/c1-3-15-32-24-17-23(31-26(24)27(35)33(16-4-2)28(32)36)20-7-11-22(12-8-20)37-18-25(34)30-21-9-5-19(6-10-21)13-14-29/h5-12,17,31H,3-4,13,15-16,18H2,1-2H3,(H,30,34)