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

Systemtic Name: 2-azanyl-N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecyl]propanamide Openeye Name: 2-amino-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]propanamide IUPAC Name: 2-amino-N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecyl]propanamide Traditional Name: 2-amino-N-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecyl]propionamide Formula: C21H36N6O3 MolecularWeight: 420.54894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)N

Isomeric SMILES

CC(C(=O)NCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)N

InChI

InChI=1S/C21H36N6O3/c1-16(22)19(28)23-13-11-9-7-5-4-6-8-10-12-14-27-20(29)17-18(24-15-25(17)2)26(3)21(27)30/h15-16H,4-14,22H2,1-3H3,(H,23,28)