2-[7-[(4-methoxyphenyl)methyl]-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]ethanamide

Systemtic Name: 2-[7-[(4-methoxyphenyl)methyl]-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]ethanamide Openeye Name: 2-[7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-propyl-purin-1-yl]acetamide CAS Name: 2-[7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-propyl-1-purinyl]acetamide IUPAC Name: 2-[7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-propylpurin-1-yl]acetamide Traditional Name: 2-(2,6-diketo-7-p-anisyl-3-propyl-purin-1-yl)acetamide Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC(=O)N)N(C=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC(=O)N)N(C=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H21N5O4/c1-3-8-22-16-15(17(25)23(18(22)26)10-14(19)24)21(11-20-16)9-12-4-6-13(27-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H2,19,24)