1-[1-oxidanidyl-3-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]-1,2,4-benzotriazin-1-ium-6-yl]-3-pyrazin-2-yl-urea

Systemtic Name: 1-[1-oxidanidyl-3-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]-1,2,4-benzotriazin-1-ium-6-yl]-3-pyrazin-2-yl-urea Openeye Name: 1-[3-[(1-benzylpyrrolidin-3-yl)amino]-1-oxido-1,2,4-benzotriazin-1-ium-6-yl]-3-pyrazin-2-yl-urea CAS Name: 1-[1-oxido-3-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]-1,2,4-benzotriazin-1-ium-6-yl]-3-(2-pyrazinyl)urea IUPAC Name: 1-[3-[(1-benzylpyrrolidin-3-yl)amino]-1-oxido-1,2,4-benzotriazin-1-ium-6-yl]-3-pyrazin-2-ylurea Traditional Name: 1-[3-[(1-benzylpyrrolidin-3-yl)amino]-1-oxido-1,2,4-benzotriazin-1-ium-6-yl]-3-pyrazin-2-yl-urea Formula: C23H23N9O2 MolecularWeight: 457.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC3=C(C=CC(=C3)NC(=O)NC4=NC=CN=C4)[N+](=N2)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC1NC2=NC3=C(C=CC(=C3)NC(=O)NC4=NC=CN=C4)[N+](=N2)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C23H23N9O2/c33-23(29-21-13-24-9-10-25-21)27-17-6-7-20-19(12-17)28-22(30-32(20)34)26-18-8-11-31(15-18)14-16-4-2-1-3-5-16/h1-7,9-10,12-13,18H,8,11,14-15H2,(H,26,28,30)(H2,25,27,29,33)