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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-7-prop-2-enyl-purin-1-yl]ethanenitrile Openeye Name: 2-(7-allyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)acetonitrile CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-piperazinyl)-7-prop-2-enyl-1-purinyl]acetonitrile IUPAC Name: 2-(3-methyl-2,6-dioxo-8-piperazin-1-yl-7-prop-2-enylpurin-1-yl)acetonitrile Traditional Name: 2-(7-allyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)acetonitrile Formula: C15H19N7O2 MolecularWeight: 329.35706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7O2/c1-3-7-21-11-12(18-14(21)20-9-5-17-6-10-20)19(2)15(24)22(8-4-16)13(11)23/h3,17H,1,5-10H2,2H3