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

Systemtic Name: 2-azanyl-N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecyl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)undecyl]-3-phenyl-propanamide CAS Name: 2-amino-N-[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)undecyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecyl]-3-phenylpropanamide Traditional Name: 2-amino-N-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecyl]-3-phenyl-propionamide Formula: C27H40N6O3 MolecularWeight: 496.6449

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C27H40N6O3/c1-31-20-30-24-23(31)26(35)33(27(36)32(24)2)18-14-9-7-5-3-4-6-8-13-17-29-25(34)22(28)19-21-15-11-10-12-16-21/h10-12,15-16,20,22H,3-9,13-14,17-19,28H2,1-2H3,(H,29,34)