N-[4-[3-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propylamino]-2-oxidanyl-propoxy]phenyl]butanamide

Systemtic Name: N-[4-[3-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propylamino]-2-oxidanyl-propoxy]phenyl]butanamide Openeye Name: N-[4-[3-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propylamino]-2-hydroxy-propoxy]phenyl]butanamide CAS Name: N-[4-[3-[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propylamino]-2-hydroxypropoxy]phenyl]butanamide IUPAC Name: N-[4-[3-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propylamino]-2-hydroxypropoxy]phenyl]butanamide Traditional Name: N-[4-[3-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propylamino]-2-hydroxy-propoxy]phenyl]butyramide Formula: C23H32N6O5 MolecularWeight: 472.53738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)OCC(CNCCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)OCC(CNCCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C23H32N6O5/c1-4-6-19(31)26-16-7-9-18(10-8-16)34-14-17(30)13-24-11-5-12-29-15-25-21-20(29)22(32)28(3)23(33)27(21)2/h7-10,15,17,24,30H,4-6,11-14H2,1-3H3,(H,26,31)