7-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3-methyl-4H-purino[8,7-b][1,3]thiazole-1,8-dione

Systemtic Name: 7-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3-methyl-4H-purino[8,7-b][1,3]thiazole-1,8-dione Openeye Name: 7-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]-3-methyl-4H-purino[8,7-b]thiazole-1,8-dione CAS Name: 7-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3-methyl-4H-purino[8,7-b]thiazole-1,8-dione IUPAC Name: 7-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3-methyl-4H-purino[8,7-b][1,3]thiazole-1,8-dione Traditional Name: 7-[4-[bis(2-chloroethyl)amino]benzylidene]-3-methyl-4H-purino[8,7-b]thiazole-1,8-quinone Formula: C19H17Cl2N5O2S MolecularWeight: 450.34158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)N=C3N2C(=O)C(=CC4=CC=C(C=C4)N(CCCl)CCCl)S3

Isomeric SMILES

CC1=NC(=O)C2=C(N1)N=C3N2C(=O)C(=CC4=CC=C(C=C4)N(CCCl)CCCl)S3

InChI

InChI=1S/C19H17Cl2N5O2S/c1-11-22-16-15(17(27)23-11)26-18(28)14(29-19(26)24-16)10-12-2-4-13(5-3-12)25(8-6-20)9-7-21/h2-5,10H,6-9H2,1H3,(H,22,23,27)