6-azanyl-1-cyclopropyl-5-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C18H25N6O4+ MolecularWeight: 389.4289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C18H24N6O4/c1-11-8-12(21-28-11)9-22-4-6-23(7-5-22)10-14(25)15-16(19)24(13-2-3-13)18(27)20-17(15)26/h8,13H,2-7,9-10,19H2,1H3,(H,20,26,27)/p+1