N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(6-methyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-3-(6-methyl-4-oxo-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-3-(6-methyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(4-keto-6-methyl-1H-pyrimidin-5-yl)propionamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=C(NC=NC3=O)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=C(NC=NC3=O)C)C

InChI

InChI=1S/C21H29N5O2/c1-4-25-9-11-26(12-10-25)19-7-5-17(13-15(19)2)24-20(27)8-6-18-16(3)22-14-23-21(18)28/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,24,27)(H,22,23,28)/p+1