3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-2-(naphthalen-1-ylsulfonylamino)propanoate

Systemtic Name: 3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-2-(naphthalen-1-ylsulfonylamino)propanoate Openeye Name: 3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]-2-(1-naphthylsulfonylamino)propanoate CAS Name: 3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-2-(1-naphthalenylsulfonylamino)propanoate IUPAC Name: 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(naphthalen-1-ylsulfonylamino)propanoate Traditional Name: 3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]-2-(1-naphthylsulfonylamino)propionate Formula: C17H15ClN5O4S- MolecularWeight: 420.8501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC3=C(C(=NC=N3)Cl)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC3=C(C(=NC=N3)Cl)N)C(=O)[O-]

InChI

InChI=1S/C17H16ClN5O4S/c18-15-14(19)16(22-9-21-15)20-8-12(17(24)25)23-28(26,27)13-7-3-5-10-4-1-2-6-11(10)13/h1-7,9,12,23H,8,19H2,(H,24,25)(H,20,21,22)/p-1