7-but-2-ynyl-9-methyl-2-[(phenylmethyl)amino]-6-piperazin-1-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-9-methyl-2-[(phenylmethyl)amino]-6-piperazin-1-yl-purin-8-one Openeye Name: 2-(benzylamino)-7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-9-methyl-2-[(phenylmethyl)amino]-6-(1-piperazinyl)-8-purinone IUPAC Name: 2-(benzylamino)-7-but-2-ynyl-9-methyl-6-piperazin-1-ylpurin-8-one Traditional Name: 2-(benzylamino)-7-but-2-ynyl-9-methyl-6-piperazino-purin-8-one Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)NCC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)NCC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C21H25N7O/c1-3-4-12-28-17-18(26(2)21(28)29)24-20(23-15-16-8-6-5-7-9-16)25-19(17)27-13-10-22-11-14-27/h5-9,22H,10-15H2,1-2H3,(H,23,24,25)