2-azanyl-N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecyl]-3-oxidanyl-propanamide

Systemtic Name: 2-azanyl-N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecyl]-3-oxidanyl-propanamide Openeye Name: 2-amino-N-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)undecyl]-3-hydroxy-propanamide CAS Name: 2-amino-N-[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)undecyl]-3-hydroxypropanamide IUPAC Name: 2-amino-N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecyl]-3-hydroxypropanamide Traditional Name: 2-amino-N-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecyl]-3-hydroxy-propionamide Formula: C21H36N6O4 MolecularWeight: 436.54834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNC(=O)C(CO)N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNC(=O)C(CO)N

InChI

InChI=1S/C21H36N6O4/c1-25-15-24-18-17(25)20(30)27(21(31)26(18)2)13-11-9-7-5-3-4-6-8-10-12-23-19(29)16(22)14-28/h15-16,28H,3-14,22H2,1-2H3,(H,23,29)