N-[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-2-methyl-5-[(2-methyl-4-methylidene-5-oxidanylidene-oxolan-2-yl)methoxy]pyrazole-3-carboxamide hydrochloride

Systemtic Name: N-[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-2-methyl-5-[(2-methyl-4-methylidene-5-oxidanylidene-oxolan-2-yl)methoxy]pyrazole-3-carboxamide hydrochloride Openeye Name: N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-2-methyl-5-[(2-methyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)methoxy]pyrazole-3-carboxamide hydrochloride CAS Name: N-[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]-2-methyl-5-[(2-methyl-4-methylene-5-oxo-2-oxolanyl)methoxy]-3-pyrazolecarboxamide hydrochloride IUPAC Name: N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-2-methyl-5-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methoxy]pyrazole-3-carboxamide hydrochloride Traditional Name: N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-5-[(5-keto-2-methyl-4-methylene-tetrahydrofuran-2-yl)methoxy]-2-methyl-pyrazole-3-carboxamide hydrochloride Formula: C21H28ClN7O5 MolecularWeight: 493.94392

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C)C(=O)O1)COC2=NN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C.Cl

Isomeric SMILES

CC1(CC(=C)C(=O)O1)COC2=NN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C.Cl

InChI

InChI=1S/C21H27N7O5.ClH/c1-12-9-21(2,33-20(12)31)11-32-17-8-15(28(4)26-17)19(30)25-13-7-14(27(3)10-13)18(29)24-6-5-16(22)23;/h7-8,10H,1,5-6,9,11H2,2-4H3,(H3,22,23)(H,24,29)(H,25,30);1H