8-[bis(diphenylmethyl)amino]-7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[bis(diphenylmethyl)amino]-7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(Z)-2-chlorobut-2-enyl]-8-(dibenzhydrylamino)-3-methyl-purine-2,6-dione CAS Name: 8-[bis(diphenylmethyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(Z)-2-chlorobut-2-enyl]-8-(dibenzhydrylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(Z)-2-chlorobut-2-enyl]-8-(dibenzhydrylamino)-3-methyl-xanthine Formula: C36H32ClN5O2 MolecularWeight: 602.12458

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN1C2=C(N=C1N(C(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C=C(/CN1C2=C(N=C1N(C(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC2=O)C)\Cl

InChI

InChI=1S/C36H32ClN5O2/c1-3-29(37)24-41-32-33(40(2)36(44)39-34(32)43)38-35(41)42(30(25-16-8-4-9-17-25)26-18-10-5-11-19-26)31(27-20-12-6-13-21-27)28-22-14-7-15-23-28/h3-23,30-31H,24H2,1-2H3,(H,39,43,44)/b29-3-