(4-azanyl-3-azanylidene-1-methyl-8aH-naphthalen-2-yl) 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonic acid

Systemtic Name: (4-azanyl-3-azanylidene-1-methyl-8aH-naphthalen-2-yl) 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonic acid Openeye Name: (4-amino-3-imino-1-methyl-8aH-naphthalen-2-yl) 4-guanidinobenzoate; methanesulfonic acid CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-amino-3-imino-1-methyl-8aH-naphthalen-2-yl) ester; methanesulfonic acid IUPAC Name: (4-amino-3-imino-1-methyl-8aH-naphthalen-2-yl) 4-(diaminomethylideneamino)benzoate; methanesulfonic acid Traditional Name: 4-guanidinobenzoic acid (4-amino-3-imino-1-methyl-8aH-naphthalen-2-yl) ester; mesylic acid Formula: C21H27N5O8S2 MolecularWeight: 541.59778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=N)C(=C2C1C=CC=C2)N)OC(=O)C3=CC=C(C=C3)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=N)C(=C2C1C=CC=C2)N)OC(=O)C3=CC=C(C=C3)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C19H19N5O2.2CH4O3S/c1-10-13-4-2-3-5-14(13)15(20)16(21)17(10)26-18(25)11-6-8-12(9-7-11)24-19(22)23;2*1-5(2,3)4/h2-9,13,21H,20H2,1H3,(H4,22,23,24);2*1H3,(H,2,3,4)