methyl 4-(2-azanyl-6-chloranyl-purin-9-yl)-2,2-diethoxy-cyclobutane-1-carboxylate

Systemtic Name: methyl 4-(2-azanyl-6-chloranyl-purin-9-yl)-2,2-diethoxy-cyclobutane-1-carboxylate Openeye Name: methyl 4-(2-amino-6-chloro-purin-9-yl)-2,2-diethoxy-cyclobutanecarboxylate CAS Name: 4-(2-amino-6-chloro-9-purinyl)-2,2-diethoxy-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-6-chloropurin-9-yl)-2,2-diethoxycyclobutane-1-carboxylate Traditional Name: 4-(2-amino-6-chloro-purin-9-yl)-2,2-diethoxy-cyclobutanecarboxylic acid methyl ester Formula: C15H20ClN5O4 MolecularWeight: 369.8034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CC(C1C(=O)OC)N2C=NC3=C2N=C(N=C3Cl)N)OCC

Isomeric SMILES

CCOC1(CC(C1C(=O)OC)N2C=NC3=C2N=C(N=C3Cl)N)OCC

InChI

InChI=1S/C15H20ClN5O4/c1-4-24-15(25-5-2)6-8(9(15)13(22)23-3)21-7-18-10-11(16)19-14(17)20-12(10)21/h7-9H,4-6H2,1-3H3,(H2,17,19,20)