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

Systemtic Name: N-methyl-2-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-7-prop-2-enyl-purin-1-yl]ethanamide Openeye Name: 2-(7-allyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)-N-methyl-acetamide CAS Name: N-methyl-2-[3-methyl-2,6-dioxo-8-(1-piperazinyl)-7-prop-2-enyl-1-purinyl]acetamide IUPAC Name: N-methyl-2-(3-methyl-2,6-dioxo-8-piperazin-1-yl-7-prop-2-enylpurin-1-yl)acetamide Traditional Name: 2-(7-allyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)-N-methyl-acetamide Formula: C16H23N7O3 MolecularWeight: 361.39892

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C(=O)C2=C(N=C(N2CC=C)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CNC(=O)CN1C(=O)C2=C(N=C(N2CC=C)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C16H23N7O3/c1-4-7-22-12-13(19-15(22)21-8-5-18-6-9-21)20(3)16(26)23(14(12)25)10-11(24)17-2/h4,18H,1,5-10H2,2-3H3,(H,17,24)