1-ethyl-7-methyl-3-[4-(7H-purin-6-yl)piperazin-1-yl]carbonyl-1,8-naphthyridin-4-one

Systemtic Name: 1-ethyl-7-methyl-3-[4-(7H-purin-6-yl)piperazin-1-yl]carbonyl-1,8-naphthyridin-4-one Openeye Name: 1-ethyl-7-methyl-3-[4-(7H-purin-6-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one CAS Name: 1-ethyl-7-methyl-3-[oxo-[4-(7H-purin-6-yl)-1-piperazinyl]methyl]-1,8-naphthyridin-4-one IUPAC Name: 1-ethyl-7-methyl-3-[4-(7H-purin-6-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one Traditional Name: 1-ethyl-7-methyl-3-[4-(7H-purin-6-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one Formula: C21H22N8O2 MolecularWeight: 418.45178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCN(CC3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCN(CC3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H22N8O2/c1-3-27-10-15(17(30)14-5-4-13(2)26-19(14)27)21(31)29-8-6-28(7-9-29)20-16-18(23-11-22-16)24-12-25-20/h4-5,10-12H,3,6-9H2,1-2H3,(H,22,23,24,25)