1-methyl-3-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]urea

Systemtic Name: 1-methyl-3-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]urea Openeye Name: 1-methyl-3-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea CAS Name: 1-methyl-3-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea IUPAC Name: 1-methyl-3-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea Traditional Name: 1-[(4-keto-1H-quinazolin-2-yl)methyl]-1-methyl-3-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]urea Formula: C21H26N5O3S+ MolecularWeight: 428.52784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C21H25N5O3S/c1-25(14-19-23-16-6-3-2-5-15(16)20(27)24-19)21(28)22-13-17(18-7-4-12-30-18)26-8-10-29-11-9-26/h2-7,12,17H,8-11,13-14H2,1H3,(H,22,28)(H,23,24,27)/p+1/t17-/m0/s1