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

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C17H18N4S/c1-2-5-13(6-3-1)15-11-14-16(19-12-20-17(14)22-15)21-9-4-7-18-8-10-21/h1-3,5-6,11-12,18H,4,7-10H2/p+1