methyl 2-[4-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperazin-1-yl]acetate CAS Name: 2-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]piperazino]acetic acid methyl ester Formula: C18H29N7O4 MolecularWeight: 407.46736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCN(CC3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCN(CC3)CC(=O)OC

InChI

InChI=1S/C18H29N7O4/c1-3-4-11-29-17-21-15(19)14-16(22-17)25(18(27)20-14)10-9-23-5-7-24(8-6-23)12-13(26)28-2/h3-12H2,1-2H3,(H,20,27)(H2,19,21,22)