ethyl 7-[(2-azanyl-7H-purin-6-yl)sulfanyl]-3-oxidanylidene-2-propan-2-yl-heptanoate

Systemtic Name: ethyl 7-[(2-azanyl-7H-purin-6-yl)sulfanyl]-3-oxidanylidene-2-propan-2-yl-heptanoate Openeye Name: ethyl 7-[(2-amino-7H-purin-6-yl)sulfanyl]-2-isopropyl-3-oxo-heptanoate CAS Name: 7-[(2-amino-7H-purin-6-yl)thio]-3-oxo-2-propan-2-ylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[(2-amino-7H-purin-6-yl)sulfanyl]-3-oxo-2-propan-2-ylheptanoate Traditional Name: 7-[(2-amino-7H-purin-6-yl)thio]-2-isopropyl-3-keto-enanthic acid ethyl ester Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)C(=O)CCCCSC1=NC(=NC2=C1NC=N2)N

Isomeric SMILES

CCOC(=O)C(C(C)C)C(=O)CCCCSC1=NC(=NC2=C1NC=N2)N

InChI

InChI=1S/C17H25N5O3S/c1-4-25-16(24)12(10(2)3)11(23)7-5-6-8-26-15-13-14(20-9-19-13)21-17(18)22-15/h9-10,12H,4-8H2,1-3H3,(H3,18,19,20,21,22)