N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methoxyethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-4-pyrrolidinosulfonyl-benzamide Formula: C22H31N5O6S MolecularWeight: 493.57644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)N

InChI

InChI=1S/C22H31N5O6S/c1-3-4-13-27-19(23)18(20(28)24-22(27)30)26(14-15-33-2)21(29)16-7-9-17(10-8-16)34(31,32)25-11-5-6-12-25/h7-10H,3-6,11-15,23H2,1-2H3,(H,24,28,30)