4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-methyl-butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide Traditional Name: N-(4-allyloxybenzyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-methyl-butyramide Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(C)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(C)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C22H27N5O4/c1-5-13-31-17-10-8-16(9-11-17)14-24(2)18(28)7-6-12-27-15-23-20-19(27)21(29)26(4)22(30)25(20)3/h5,8-11,15H,1,6-7,12-14H2,2-4H3