3-[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-indol-2-yl]propane-1,2-diol

Systemtic Name: 3-[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-indol-2-yl]propane-1,2-diol Openeye Name: 3-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-indol-2-yl]propane-1,2-diol CAS Name: 3-[6-[(2,4-diamino-5-pyrimidinyl)methyl]-1-ethyl-2-indolyl]propane-1,2-diol IUPAC Name: 3-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethylindol-2-yl]propane-1,2-diol Traditional Name: 3-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-indol-2-yl]propane-1,2-diol Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)CC3=CN=C(N=C3N)N)CC(CO)O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)CC3=CN=C(N=C3N)N)CC(CO)O

InChI

InChI=1S/C18H23N5O2/c1-2-23-14(8-15(25)10-24)7-12-4-3-11(6-16(12)23)5-13-9-21-18(20)22-17(13)19/h3-4,6-7,9,15,24-25H,2,5,8,10H2,1H3,(H4,19,20,21,22)