8-chloranyl-2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine

Systemtic Name: 8-chloranyl-2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 8-chloro-2-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine CAS Name: 8-chloro-2-methyl-4-(4-methyl-1-piperazin-4-iumyl)benzofuro[3,2-d]pyrimidine IUPAC Name: 8-chloro-2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 8-chloro-2-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine Formula: C16H18ClN4O+ MolecularWeight: 317.79332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)C)OC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)C)OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C16H17ClN4O/c1-10-18-14-12-9-11(17)3-4-13(12)22-15(14)16(19-10)21-7-5-20(2)6-8-21/h3-4,9H,5-8H2,1-2H3/p+1