4-ethoxy-5-(1H-indol-6-ylmethyl)-1-propylsulfonyl-pyrimidine-2,4-diamine

Systemtic Name: 4-ethoxy-5-(1H-indol-6-ylmethyl)-1-propylsulfonyl-pyrimidine-2,4-diamine Openeye Name: 4-ethoxy-5-(1H-indol-6-ylmethyl)-1-propylsulfonyl-pyrimidine-2,4-diamine CAS Name: 4-ethoxy-5-(1H-indol-6-ylmethyl)-1-propylsulfonylpyrimidine-2,4-diamine IUPAC Name: 4-ethoxy-5-(1H-indol-6-ylmethyl)-1-propylsulfonylpyrimidine-2,4-diamine Traditional Name: [2-amino-4-ethoxy-5-(1H-indol-6-ylmethyl)-1-propylsulfonyl-pyrimidin-4-yl]amine Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1C=C(C(N=C1N)(N)OCC)CC2=CC3=C(C=C2)C=CN3

Isomeric SMILES

CCCS(=O)(=O)N1C=C(C(N=C1N)(N)OCC)CC2=CC3=C(C=C2)C=CN3

InChI

InChI=1S/C18H25N5O3S/c1-3-9-27(24,25)23-12-15(18(20,26-4-2)22-17(23)19)10-13-5-6-14-7-8-21-16(14)11-13/h5-8,11-12,21H,3-4,9-10,20H2,1-2H3,(H2,19,22)