(4S,5R)-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-7-phenethyl-5,9-dihydro-4H-purine-2,6-dione

Systemtic Name: (4S,5R)-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-7-phenethyl-5,9-dihydro-4H-purine-2,6-dione Openeye Name: (4S,5R)-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-7-phenethyl-5,9-dihydro-4H-purine-2,6-dione CAS Name: (4S,5R)-1,3-dimethyl-8-(4-morpholin-4-iumylidene)-7-phenethyl-5,9-dihydro-4H-purine-2,6-dione IUPAC Name: (4S,5R)-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-7-phenethyl-5,9-dihydro-4H-purine-2,6-dione Traditional Name: (4S,5R)-1,3-dimethyl-8-morpholin-4-ium-4-ylidene-7-phenethyl-5,9-dihydro-4H-purine-2,6-quinone Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C(=[N+]3CCOCC3)N2)CCC4=CC=CC=C4

Isomeric SMILES

CN1[C@H]2[C@H](C(=O)N(C1=O)C)N(C(=[N+]3CCOCC3)N2)CCC4=CC=CC=C4

InChI

InChI=1S/C19H25N5O3/c1-21-16-15(17(25)22(2)19(21)26)24(9-8-14-6-4-3-5-7-14)18(20-16)23-10-12-27-13-11-23/h3-7,15-16H,8-13H2,1-2H3/p+1/t15-,16+/m1/s1