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8-(butylamino)-3-methyl-6-oxidanylidene-7-(3-phenoxypropyl)purin-2-olate

8-(butylamino)-3-methyl-6-oxidanylidene-7-(3-phenoxypropyl)purin-2-olate

Systemtic Name:8-(butylamino)-3-methyl-6-oxidanylidene-7-(3-phenoxypropyl)purin-2-olate
Openeye Name:8-(butylamino)-3-methyl-6-oxo-7-(3-phenoxypropyl)purin-2-olate
CAS Name:8-(butylamino)-3-methyl-6-oxo-7-(3-phenoxypropyl)-2-purinolate
IUPAC Name:8-(butylamino)-3-methyl-6-oxo-7-(3-phenoxypropyl)purin-2-olate
Traditional Name:8-(butylamino)-6-keto-3-methyl-7-(3-phenoxypropyl)purin-2-olate
Formula: C19H24N5O3-
MolecularWeight: 370.42556
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)N=C(N2C)[O-]


Isomeric SMILES

CCCCNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)N=C(N2C)[O-]


InChI

InChI=1S/C19H25N5O3/c1-3-4-11-20-18-21-16-15(17(25)22-19(26)23(16)2)24(18)12-8-13-27-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,20,21)(H,22,25,26)/p-1


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