4-azanyl-2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]butanamide

Systemtic Name: 4-azanyl-2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]butanamide Openeye Name: 4-amino-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]butanamide CAS Name: 4-amino-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]butanamide IUPAC Name: 4-amino-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]butanamide Traditional Name: 4-amino-2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenoxy]butyramide Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OC(CCN)C(=O)N

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OC(CCN)C(=O)N

InChI

InChI=1S/C21H28N6O4/c1-3-11-26-19-16(20(29)27(12-4-2)21(26)30)24-18(25-19)13-5-7-14(8-6-13)31-15(9-10-22)17(23)28/h5-8,15H,3-4,9-12,22H2,1-2H3,(H2,23,28)(H,24,25)