Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c1ncnc(c1c(c2ccccc2)c3)c4cc5c(cc4)CCC5NC=[N@H] |
InChI | InChI | 1.03 | InChI=1S/C22H19N5/c23-12-25-19-9-8-15-6-7-16(10-17(15)19)21-20-18(14-4-2-1-3-5-14)11-24-22(20)27-13-26-21/h1-7,10-13,19H,8-9H2,(H2,23,25)(H,24,26,27)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | HLJVDQSXUUSDJP-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N=CN[C@H]1CCc2ccc(cc12)c3ncnc4[nH]cc(c5ccccc5)c34 |
SMILES | CACTVS | 3.385 | N=CN[CH]1CCc2ccc(cc12)c3ncnc4[nH]cc(c5ccccc5)c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C/N[C@H]1CCc2c1cc(cc2)c3c4c(c[nH]c4ncn3)c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2c[nH]c3c2c(ncn3)c4ccc5c(c4)C(CC5)NC=N |