7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-1-carbonitrile

Systemtic Name: 7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-1-carbonitrile Openeye Name: 7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-yl-purine-1-carbonitrile CAS Name: 7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinecarbonitrile IUPAC Name: 7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurine-1-carbonitrile Traditional Name: 2,6-diketo-7-(2-methoxyphenyl)-3-methyl-8-piperazino-purine-1-carbonitrile Formula: C18H19N7O3 MolecularWeight: 381.38856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C#N)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C#N)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C18H19N7O3/c1-22-15-14(16(26)24(11-19)18(22)27)25(12-5-3-4-6-13(12)28-2)17(21-15)23-9-7-20-8-10-23/h3-6,20H,7-10H2,1-2H3