5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-7-yl]pentyl ethanoate

Systemtic Name: 5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-7-yl]pentyl ethanoate Openeye Name: 5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]pentyl acetate CAS Name: acetic acid 5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]pentyl ester IUPAC Name: 5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]pentyl acetate Traditional Name: acetic acid 5-[2-[(3,4-dichlorobenzyl)amino]-6-keto-3H-purin-7-yl]pentyl ester Formula: C19H21Cl2N5O3 MolecularWeight: 438.30774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)OCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H21Cl2N5O3/c1-12(27)29-8-4-2-3-7-26-11-23-17-16(26)18(28)25-19(24-17)22-10-13-5-6-14(20)15(21)9-13/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,22,24,25,28)