methyl 4-[(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)methyl]pyridine-2-carboxylate

Systemtic Name: methyl 4-[(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)methyl]pyridine-2-carboxylate Openeye Name: methyl 4-[(6-amino-2-butoxy-8-methoxy-purin-9-yl)methyl]pyridine-2-carboxylate CAS Name: 4-[(6-amino-2-butoxy-8-methoxy-9-purinyl)methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]pyridine-2-carboxylate Traditional Name: 4-[(6-amino-2-butoxy-8-methoxy-purin-9-yl)methyl]picolinic acid methyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC(=NC=C3)C(=O)OC)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC(=NC=C3)C(=O)OC)OC

InChI

InChI=1S/C18H22N6O4/c1-4-5-8-28-17-22-14(19)13-15(23-17)24(18(21-13)27-3)10-11-6-7-20-12(9-11)16(25)26-2/h6-7,9H,4-5,8,10H2,1-3H3,(H2,19,22,23)