ethyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-[3-(4-phenylpiperazin-1-yl)propylamino]purin-7-yl]butanoate

Systemtic Name: ethyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-[3-(4-phenylpiperazin-1-yl)propylamino]purin-7-yl]butanoate Openeye Name: ethyl 4-[1,3-dimethyl-2,6-dioxo-8-[3-(4-phenylpiperazin-1-yl)propylamino]purin-7-yl]butanoate CAS Name: 4-[1,3-dimethyl-2,6-dioxo-8-[3-(4-phenyl-1-piperazinyl)propylamino]-7-purinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1,3-dimethyl-2,6-dioxo-8-[3-(4-phenylpiperazin-1-yl)propylamino]purin-7-yl]butanoate Traditional Name: 4-[2,6-diketo-1,3-dimethyl-8-[3-(4-phenylpiperazino)propylamino]purin-7-yl]butyric acid ethyl ester Formula: C26H37N7O4 MolecularWeight: 511.61648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=C(N=C1NCCCN3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOC(=O)CCCN1C2=C(N=C1NCCCN3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C26H37N7O4/c1-4-37-21(34)12-8-15-33-22-23(29(2)26(36)30(3)24(22)35)28-25(33)27-13-9-14-31-16-18-32(19-17-31)20-10-6-5-7-11-20/h5-7,10-11H,4,8-9,12-19H2,1-3H3,(H,27,28)