4-(1,4-diazepan-4-ium-1-yl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine Formula: C18H21N4S+ MolecularWeight: 325.45114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CCC[NH2+]CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CCC[NH2+]CC3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4S/c1-13-15(14-6-3-2-4-7-14)16-17(20-12-21-18(16)23-13)22-10-5-8-19-9-11-22/h2-4,6-7,12,19H,5,8-11H2,1H3/p+1