ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-7-prop-2-enyl-purin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-7-prop-2-enyl-purin-1-yl]ethanoate Openeye Name: ethyl 2-(7-allyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-piperazinyl)-7-prop-2-enyl-1-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-2,6-dioxo-8-piperazin-1-yl-7-prop-2-enylpurin-1-yl)acetate Traditional Name: 2-(7-allyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)acetic acid ethyl ester Formula: C17H24N6O4 MolecularWeight: 376.41026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(N=C(N2CC=C)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(N=C(N2CC=C)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C17H24N6O4/c1-4-8-22-13-14(19-16(22)21-9-6-18-7-10-21)20(3)17(26)23(15(13)25)11-12(24)27-5-2/h4,18H,1,5-11H2,2-3H3