9-[2-[4-(diethylamino)phenyl]-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione

Systemtic Name: 9-[2-[4-(diethylamino)phenyl]-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione Openeye Name: 9-[2-[4-(diethylamino)phenyl]-2-oxo-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione CAS Name: 9-[2-[4-(diethylamino)phenyl]-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)-8H-purine-2,6-dione IUPAC Name: 9-[2-[4-(diethylamino)phenyl]-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione Traditional Name: 9-[2-[4-(diethylamino)phenyl]-2-keto-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-8H-purine-2,6-quinone Formula: C27H39N7O3 MolecularWeight: 509.64366

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)CN2C(N(C3=C2N(C(=O)NC3=O)C)CC=C(C)C)N4CCNCC4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)CN2C(N(C3=C2N(C(=O)NC3=O)C)CC=C(C)C)N4CCNCC4

InChI

InChI=1S/C27H39N7O3/c1-6-31(7-2)21-10-8-20(9-11-21)22(35)18-34-25-23(24(36)29-26(37)30(25)5)33(15-12-19(3)4)27(34)32-16-13-28-14-17-32/h8-12,27-28H,6-7,13-18H2,1-5H3,(H,29,36,37)