3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C17H22N6O3S2 MolecularWeight: 422.52498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H22N6O3S2/c18-14-11-15(19)22-17(21-14)27-9-6-16(24)20-12-4-3-5-13(10-12)28(25,26)23-7-1-2-8-23/h3-5,10-11H,1-2,6-9H2,(H,20,24)(H4,18,19,21,22)