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

Systemtic Name: 2-azanyl-N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecyl]-3-phenylmethoxy-propanamide Openeye Name: 2-amino-3-benzyloxy-N-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)undecyl]propanamide CAS Name: 2-amino-N-[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)undecyl]-3-phenylmethoxypropanamide IUPAC Name: 2-amino-N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecyl]-3-phenylmethoxypropanamide Traditional Name: 2-amino-3-benzoxy-N-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecyl]propionamide Formula: C28H42N6O4 MolecularWeight: 526.67088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNC(=O)C(COCC3=CC=CC=C3)N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNC(=O)C(COCC3=CC=CC=C3)N

InChI

InChI=1S/C28H42N6O4/c1-32-21-31-25-24(32)27(36)34(28(37)33(25)2)18-14-9-7-5-3-4-6-8-13-17-30-26(35)23(29)20-38-19-22-15-11-10-12-16-22/h10-12,15-16,21,23H,3-9,13-14,17-20,29H2,1-2H3,(H,30,35)