[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl N-(4-methylphenyl)carbamate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl N-(4-methylphenyl)carbamate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl N-(p-tolyl)carbamate CAS Name: N-(4-methylphenyl)carbamic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl N-(4-methylphenyl)carbamate Traditional Name: N-(p-tolyl)carbamic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)NC3=CC=C(C=C3)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)NC3=CC=C(C=C3)C)CCC

InChI

InChI=1S/C21H27N5O4/c1-4-6-12-26-18-17(19(27)24-20(26)28)25(11-5-2)16(23-18)13-30-21(29)22-15-9-7-14(3)8-10-15/h7-10H,4-6,11-13H2,1-3H3,(H,22,29)(H,24,27,28)