N-(2-azanylethyl)-2-[4-(6-oxidanylidene-1,3-dipropyl-2,7-dihydropurin-8-yl)phenoxy]ethanamide

Systemtic Name: N-(2-azanylethyl)-2-[4-(6-oxidanylidene-1,3-dipropyl-2,7-dihydropurin-8-yl)phenoxy]ethanamide Openeye Name: N-(2-aminoethyl)-2-[4-(6-oxo-1,3-dipropyl-2,7-dihydropurin-8-yl)phenoxy]acetamide CAS Name: N-(2-aminoethyl)-2-[4-(6-oxo-1,3-dipropyl-2,7-dihydropurin-8-yl)phenoxy]acetamide IUPAC Name: N-(2-aminoethyl)-2-[4-(6-oxo-1,3-dipropyl-2,7-dihydropurin-8-yl)phenoxy]acetamide Traditional Name: N-(2-aminoethyl)-2-[4-(6-keto-1,3-dipropyl-2,7-dihydropurin-8-yl)phenoxy]acetamide Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CN(C(=O)C2=C1N=C(N2)C3=CC=C(C=C3)OCC(=O)NCCN)CCC

Isomeric SMILES

CCCN1CN(C(=O)C2=C1N=C(N2)C3=CC=C(C=C3)OCC(=O)NCCN)CCC

InChI

InChI=1S/C21H30N6O3/c1-3-11-26-14-27(12-4-2)21(29)18-20(26)25-19(24-18)15-5-7-16(8-6-15)30-13-17(28)23-10-9-22/h5-8H,3-4,9-14,22H2,1-2H3,(H,23,28)(H,24,25)