N4-[5-(3-ethoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N6-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[5-(3-ethoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N6-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-[5-(3-ethoxyphenyl)sulfonylthiazol-2-yl]-N6-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine CAS Name: N4-[5-(3-ethoxyphenyl)sulfonyl-2-thiazolyl]-N6-[2-(1-pyrrolidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-[5-(3-ethoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-6-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: (5-m-phenetylsulfonylthiazol-2-yl)-[6-(2-pyrrolidinoethylamino)pyrimidin-4-yl]amine Formula: C21H26N6O3S2 MolecularWeight: 474.59954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)S(=O)(=O)C2=CN=C(S2)NC3=CC(=NC=N3)NCCN4CCCC4

Isomeric SMILES

CCOC1=CC(=CC=C1)S(=O)(=O)C2=CN=C(S2)NC3=CC(=NC=N3)NCCN4CCCC4

InChI

InChI=1S/C21H26N6O3S2/c1-2-30-16-6-5-7-17(12-16)32(28,29)20-14-23-21(31-20)26-19-13-18(24-15-25-19)22-8-11-27-9-3-4-10-27/h5-7,12-15H,2-4,8-11H2,1H3,(H2,22,23,24,25,26)