1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl]urea

Systemtic Name: 1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl]urea Openeye Name: 1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl]urea CAS Name: 1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl]urea IUPAC Name: 1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl]urea Traditional Name: 1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)phenyl]urea Formula: C21H26N6O+2 MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=[NH+]C1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=[NH+]CCCN4

Isomeric SMILES

C1CNC(=[NH+]C1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=[NH+]CCCN4

InChI

InChI=1S/C21H24N6O/c28-21(26-17-7-3-15(4-8-17)19-22-11-1-12-23-19)27-18-9-5-16(6-10-18)20-24-13-2-14-25-20/h3-10H,1-2,11-14H2,(H,22,23)(H,24,25)(H2,26,27,28)/p+2