N-(3-azanyl-3-azanylidene-propyl)-4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide hydrochloride

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide hydrochloride Openeye Name: N-(3-amino-3-imino-propyl)-4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide hydrochloride CAS Name: N-(3-amino-3-iminopropyl)-4-[[[4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide hydrochloride IUPAC Name: N-(3-amino-3-iminopropyl)-4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide hydrochloride Traditional Name: N-(3-amino-3-imino-propyl)-4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide hydrochloride Formula: C18H25Cl2N9O4 MolecularWeight: 502.355

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)N(CCCl)N=O.Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)N(CCCl)N=O.Cl

InChI

InChI=1S/C18H24ClN9O4.ClH/c1-26-9-11(7-13(26)16(29)22-5-3-15(20)21)23-17(30)14-8-12(10-27(14)2)24-18(31)28(25-32)6-4-19;/h7-10H,3-6H2,1-2H3,(H3,20,21)(H,22,29)(H,23,30)(H,24,31);1H