ethyl 2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-yl]acetate CAS Name: 2-[4-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]acetate Traditional Name: 2-[4-(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]acetic acid ethyl ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H26N6O4/c1-3-31-16(28)14-25-9-11-26(12-10-25)20-22-18-17(19(29)23-21(30)24(18)2)27(20)13-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,23,29,30)