2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl N-(naphthalen-1-ylmethyl)carbamate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl N-(naphthalen-1-ylmethyl)carbamate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl N-(1-naphthylmethyl)carbamate CAS Name: N-(1-naphthalenylmethyl)carbamic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N-(naphthalen-1-ylmethyl)carbamate Traditional Name: N-(1-naphthylmethyl)carbamic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O4/c1-24-18-17(19(27)25(2)21(24)29)26(13-23-18)10-11-30-20(28)22-12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12H2,1-2H3,(H,22,28)