6-azanyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyrimidine-2,4-dione CAS Name: 6-amino-5-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyrimidine-2,4-quinone Formula: C17H25N5O2+2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C17H23N5O2/c1-20-7-9-21(10-8-20)12-14-15(18)22(17(24)19-16(14)23)11-13-5-3-2-4-6-13/h2-6H,7-12,18H2,1H3,(H,19,23,24)/p+2