6-azanyl-5-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-isobutyl-5-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]pyrimidine-2,4-dione CAS Name: 6-amino-5-[(S)-(4-methoxyphenyl)-(4-morpholin-4-iumyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-ylmethyl]-1-(2-methylpropyl)pyrimidine-2,4-dione Traditional Name: 6-amino-1-isobutyl-5-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]pyrimidine-2,4-quinone Formula: C20H29N4O4+ MolecularWeight: 389.46866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)C(C2=CC=C(C=C2)OC)[NH+]3CCOCC3)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)[C@H](C2=CC=C(C=C2)OC)[NH+]3CCOCC3)N

InChI

InChI=1S/C20H28N4O4/c1-13(2)12-24-18(21)16(19(25)22-20(24)26)17(23-8-10-28-11-9-23)14-4-6-15(27-3)7-5-14/h4-7,13,17H,8-12,21H2,1-3H3,(H,22,25,26)/p+1/t17-/m0/s1