methyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]-6-methyl-benzoate

Systemtic Name: methyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]-6-methyl-benzoate Openeye Name: methyl 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylamino]-6-methyl-benzoate CAS Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethylamino]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-6-methylbenzoate Traditional Name: 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethylamino]-6-methyl-benzoic acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C(=O)OC

InChI

InChI=1S/C18H21N5O4/c1-11-6-5-7-12(13(11)17(25)27-4)19-8-9-23-10-20-15-14(23)16(24)22(3)18(26)21(15)2/h5-7,10,19H,8-9H2,1-4H3